1H and 13C chemical shifts for some tetrasubstituted 2,5-diaryl di- and tetrahydrofuran derivatives

The 1H and 13C NMR chemical shifts of four 2,5-diaryltetrahydrofuran derivatives and their dihydro precursors were assigned completely with certainty using a concerted application of one- and two-dimensional experiments (DEPT, gs-COSY, gs-HMQC and gs-HMBC)     

(1)H and (13)C chemical shifts for 2-aryl and 2-N-arylamino benzothiazole derivatives

The (1)H and (13)C NMR resonances for forty-three 2-aryl and 2-N-arylamino benzothiazole derivatives were completely assigned using a concerted application of one- and two-dimensional experiments (DEPT, gs-COSY, gs-HMQC and gs-HMBC).     

1H and 13C chemical shifts for some 6,6a-dihydrochromeno(3,4-b)chromene derivatives

The 1H and 13C NMR resonances of five 6,6a-dihydrochromeno(3,4-b)chromene derivatives were assigned completely with certainty using a concerted application of one- and two-dimensional experiments (DEPT, gs-COSY, gs-HMQC and gs-HMBC).     

1H and 13C NMR signal assignments of some new N,N′‐diacyl proflavine derivatives

The complete ¹H and ¹³C NMR signal assignments of 23 new N,N′‐diacyl proflavine derivatives were achieved using one‐ and two‐dimensional experiments (DEPT, HMQC and HMBC). Copyright © 2009 John Wiley & Sons, Ltd.     

Synthesis and complete assignment of the 1H and 13C NMR signals of new acetamido and aminoflavonoid derivatives

The complete ¹H and ¹³C NMR assignment of 9 acetamidochalcones, 18 acetamidoflavones, 18 aminoflavones, 9 acetamidoflavonols and 9 aminoflavonols has been performed using one‐ and two‐dimensional NMR techniques including COSY, HMQC and HMBC experiments. Copyright © 2010 John Wiley & Sons, Ltd.     

Complete 1H and 13C NMR spectral assignment of hydrogenated oxoisoaporphine derivatives

2,3,8,9,10,11‐Hexahydro‐7H‐dibenzo[de,h]quinolin‐7‐one, 5‐methoxy‐2,3,8,9,10,11‐hexahydro‐7H‐dibenzo[de,h]quinolin‐7‐one, 5‐methoxy‐6‐hydroxy‐1,2,3,7a,8,9,10,11,11a,11b‐decahydro‐7H‐dibenzo[de,h]quinolin‐7‐one, 5‐methoxy‐5,6,8,9,10,11‐hexahydro‐4H‐dibenzo[de,h]quinolin‐7‐ol, 5,6,8,9,10,11‐hexahydro‐4H‐dibenzo[de,h]quinolin‐7‐ol and 5,6‐dihydro‐4H‐dibenzo[de,h]quinolin‐7‐ol were prepared by catalytic hydrogenation of oxoisoaporphines or their 2,3‐dihydro derivatives over PtO₂ in acetic acid under mild conditions. Their structures were confirmed and ¹H and ¹³C NMR spectra were completely assigned using a combination of one‐ and two‐dimensional NMR techniques. Copyright © 2003 John Wiley & Sons, Ltd.     

Complete assignments 1H and 13C NMR spectral data of four anabaseine derivatives

The anabaseine derivatives 6-methoxy-7-hydroxy-1-(pyridin-3-yl)-3,4-dihydroisoquinoline, 6,7-dimethoxy-1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline and 6,7-dimethoxy-1-(piperidin-3-yl)-1,2,3,4-tetrahydroisoquino- line were prepared either by demethylation with HBr or by reduction with different reagents, NaBH4 and H2/PtO2 from 6,7-dimethoxy-1-(pyridin-3-yl)-3,4-dihydroisoquinoline, as starting material. The structures have been fully assigned by the combination of one- and two-dimensional experiments.     

1H, 13C and 15N NMR chemical shifts of substituted pyrazolo[1,5‐a]pyrimidines

¹H, ¹³C and ¹⁵N NMR chemical shifts of 10 substituted pyrazolo[1,5‐a]pyrimidines were assigned based on DQF ¹H, ¹H COSY, PFG ¹H, ¹³C HMQC and PFG ¹H,X (X = ¹³C and ¹⁵N) HMBC experiments and on literature data. Copyright © 2002 John Wiley & Sons, Ltd.     

1H and 13C NMR spectral assignment of N,N′‐disubstituted thiourea and urea derivatives active against nitric oxide synthase

The ¹H and ¹³C NMR resonances of seventeen N‐alkyl and aryl‐N′‐[3‐hydroxy‐3‐(2‐nitro‐5‐substitutedphenyl)propyl]‐thioureas and ureas ( 1–17 ), and seventeen N‐alkyl or aryl‐N′‐[3‐(2‐amino‐5‐substitutedphenyl)‐3‐hydroxypropyl]‐thioureas and ureas ( 18–34 ), designed as NOS inhibitors, were assigned completely using the concerted application of one‐ and two‐dimensional experiments (DEPT, HSQC and HMBC). NOESY studies confirm the preferred conformation of these compounds. Copyright © 2016 John Wiley & Sons, Ltd.     

1H, 13C and 15N NMR spectral assignments for new triazapentalene derivatives

Mesomeric heteropentalene betaines are conjugated fused polyheterocyclic structures that represent interesting intermediates for organic synthesis. Five such structures, containing at least four nitrogen atoms and various substituents, have been characterized by ¹H, ¹³C and ¹⁵N NMR. We report, apparently for the first time, nitrogen NMR data and coupling information on such systems. Inter‐ring long‐range correlations across five bonds with ¹⁵N (⁵J_HN) and up to seven bonds with ¹³C (⁶J_HC and ⁷J_HC) were observed in HSQC experiments. The incorporation of an electron‐withdrawing substituent such as NO₂ was observed to cause an increase in the magnitude of the remote couplings and deshielding of nearby protons, carbons and on all nitrogen atoms of the structure, including remote ones situated on other cycles. Copyright © 2009 John Wiley & Sons, Ltd.     

Structural elucidation of a new delta2-pyrazoline derivatives using 1H and 13C NMR spectroscopy

This paper describes the unequivocal structural elucidation of a new kind of Delta2-pyrazoline derivatives carried out by means of monodimensional 1H and 13C NMR spectroscopies, bidimensional ones such as HMBC and HMQC experiments, and NOEDIFF effects. Conformational analysis of this molecule agrees very well with the experimentally NOEDIFF effects found.     

1H, 13C and 15N NMR spectral assignments of adenosine derivatives with different amino substituents at C6-position

The complete (1)H, (13)C and (15)N NMR signals assignment of adenosine derivatives differently substituted at C(6)-position was achieved using one- and two-dimensional experiments (gs-COSY, gs-NOESY, gs-HSQC and gs-HMBC).     

1H and 13C spectral assignment of symmetrical bis[(4-aminosubstituted)quinolinium] derivatives

1H and 13C NMR spectroscopic data of both the quinolinium ring and the spacers for 32 symmetrical bisquinolinium compounds were assigned by a combination of one- and two-dimensional experiments (DEPT, HMBC, HMQC). The compounds have electron-releasing groups at position 4 of the quinolinium ring, with several arylalkyl linkers such as the 3,3'-, 4,4'-bis(methylene)biphenyl and 4,4'-bis(methylene)bibenzyl moieties.     

Complete and unambiguous assignments of 1H and 13C chemical shifts of new arylamino derivatives of ortho-naphthofuranquinones

Six new nor-beta-lapachones have been synthesized from reaction of 3-bromo-nor-beta-lapachone with arylamines. These derivatives have potent anticancer properties against several cell lines. Here, we report complete unambiguous assignments of (1)H and (13)C chemical shifts of the new compounds. The assignments were made using a combination of one- and two-dimensional NMR techniques ((1)H, (13)C, (1)H-(1)H COSY, (1)H-(13)C HSQC, and (1)H-(13)C HMBC).     

Increments for 1H and 13C NMR chemical shifts in areneboronic acids

A series of areneboronic acids were studied by NMR spectroscopy. Increments for the ¹H and ¹³C chemical shifts caused by the boronic acid substituent B(OH)₂ in areneboronic acids were determined. Copyright © 2003 John Wiley & Sons, Ltd.     

1H, 13C,and 15N NMR spectra of some pyridazine derivatives

¹H, ¹³C, and ¹⁵N NMR chemical shifts for pyridazines 4–22 were measured using 1D and 2D NMR spectroscopic methods including ¹H? ¹H gDQCOSY, ¹H? ¹³C gHMQC, ¹H? ¹³C gHMBC, and ¹H? ¹⁵N CIGAR–HMBC experiments. Copyright © 2010 John Wiley & Sons, Ltd.     

Complete 1H, 13C and 15N NMR assignment of tirapazamine and related 1,2,4-benzotriazine N-oxides

1H, 13C and 15N NMR measurements (1D and 2D including 1H--15N gs-HMBC) have been carried out on 3-amino-1, 2,4-benzotriazine and a series of N-oxides and complete assignments established. N-Oxidation at any position resulted in large upfield shifts of the corresponding N-1 and N-2 resonances and downfield shifts for N-4 with the exception of the 3-amino-1,2,4-benzotriazine 1-oxide in which a small upfield shift of N-4 was observed. Density functional GIAO calculations of the 15N and 13C chemical shifts [B3LYP/6-31G(d)//B3LYP/6-311+G(2d,p)] gave good agreement with experimental values confirming the assignments. The combination of 13C and 15N NMR provides an unambiguous method for assigning the 1H and 13C resonances of N-oxides of 1,2,4-benzotriazines.     

1H, 13C NMR, X-ray and conformational studies of new 1-alkyl-3-benzoyl-pyrazole and 1-alkyl-3-benzoyl-pyrazoline derivatives

The (1)H and (13)C NMR resonances of 22 1-alkyl-pyrazole and 25 1-alkyl-pyrazoline derivatives were assigned completely using the concerted application of one- and two-dimensional experiments (DEPT, gs-HMQC and gs-HMBC). Nuclear Overhauser enhancement (NOE) effects, conformational analysis and X-ray crystallography confirm the preferred conformation of those compounds.     

1H and 13C NMR studies of 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indoles

The 1H and 13C NMR resonances of thirty 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indoles were assigned completely and unequivocally using the concerted application of one- and two-dimensional experiments (DEPT, gs-HMQC and gs-HMBC). Finally, the influence of the 2-substituent of 5-(methylsufonyl)-1-phenyl-1H-indoles on the carbon atoms of the indole moiety was estimated.     

1H, 13C and 15N NMR spectra of ciprofloxacin

1H NMR assignment, including the values of delta(H) and J(H,H) for the cyclopropane moiety, and 13C NMR and 15N NMR spectral data for ciprofloxacin are presented.