Complete assignment of 1H and 13C NMR spectra of some alpha-arylthio and alpha-arylsulfonyl substituted N-methoxy-N-methyl propionamides

The complete assignments of the 1H and 13C NMR spectra of the some alpha-arylthio and alpha-arylsulfonyl substituted N-methoxy-N-methyl propionamides, bearing methoxy, methyl, chloro, and nitro as substituents at the phenyl ring are reported.     

Complete assignment of 1H and 13C NMR data of some flavonol derivatives

Nine flavonol derivatives were studied. Previously reported NMR data of three of these derivatives were corrected. We report complete assignments of the NMR data for six flavonol derivatives not previously studied.     

Complete assignment of the 1H and 13C NMR spectra of antimicrobial 4‐arylamino‐ 3‐nitrocoumarin derivatives

Herein, we describe the synthesis and complete assignment of the ¹H and ¹³C NMR chemical shifts of a series of antimicrobial 4‐arylamino‐3‐nitrocoumarin derivatives based on a combination of ¹H and ¹³C NMR, ¹H‐¹H‐COSY, NOESY, HSQC and HMBC experiments. Conformational effects upon the chemical shifts of the coumarin moiety arising from the anisotropy of the aryl side group are briefly discussed. This study provides the first complete and fully assigned NMR data for this important group of antimicrobial compounds and bridges the gap existing in the literature with regard to NMR structural data for 4‐arylamino‐3‐nitrocoumarins. Copyright © 2010 John Wiley & Sons, Ltd.     

1H and 13C spectral assignment of o‐chloroformyl substituted 1,4‐dihydropyridine derivatives

The ¹H and ¹³C NMR spectroscopic data for alkyl 4‐aryl‐6‐chloro‐5‐formyl‐2‐methyl‐1,4‐dihydopyridine‐3‐carboxylates were fully assigned by combination of one‐ and two‐dimensional experiments (DEPT, HMBC, HMQC, COSY, NOE). Copyright © 2002 John Wiley & Sons, Ltd.     

Complete assignment of the 1H and 13C NMR spectra of some N‐benzyl‐(piperidin or pyrrolidin)‐purines

The ¹H and ¹³C shifts of six N‐benzyl‐(piperidin or pyrrolidin)‐purines were fully assigned by a combination of HSQC and HMBC experiments. The ¹H,¹H coupling constants were also determined. Copyright © 2002 John Wiley & Sons, Ltd.     

Complete assignment of 1H and 13C NMR data of pravastatin derivatives

The complete ¹H and ¹³C NMR data of 27 pravastatin derivatives are presented. Assignment was achieved by use of 1D and 2D NMR experiments (selective 1D NOE, COSY, NOESY, HSQC, HMBC). Copyright © 2008 John Wiley & Sons, Ltd.     

Complete 1H and 13C NMR assignment for aryl diisoprenes

The characterization of four aryl diisoprenes was carried out by 1D‐ and 2D‐NMR methods, which permitted the assignment of the signals of all protons and all carbon atoms. Copyright © 2003 John Wiley & Sons, Ltd.     

Unequivocal total assignment of 13C and 1H NMR spectra of some pyrido[1,2‐a]pyrimidine derivatives by 2D‐NMR

We report the total assignments of the ¹³C and ¹H NMR spectra of some 4‐methyl‐2‐oxo‐(2H)‐pyrido[1,2‐a]pyrimidine and 2‐methyl‐4‐oxo‐(4H)‐pyrido[1,2‐a]pyrimidine derivatives. The products were characterized by ¹H and ¹³C NMR and reported data for similar compounds. No comparative data for the two sets of isomeric compounds with respect to ¹³C and ¹H NMR have been reported to date. We made some detailed studies of the 2D NMR spectra of these compounds and observed that assignments made for non‐protonated carbon atoms by us and those reported in the literature for similar compounds need correction. The revised assignments were made on the basis of heteronuclear single quantum correlation (HSQC) and heteronuclear multiple bond correlation (HMBC) techniques. Copyright © 2003 John Wiley & Sons, Ltd.     

1H and 13C NMR analysis of 2‐acetamido‐3‐mercapto‐3‐methyl‐N‐aryl‐butanamides and 2‐acetamido‐3‐methyl‐3‐nitrososulfanyl‐N‐aryl‐butanamide derivatives

The complete assignment of the ¹H and ¹³C NMR spectra of various 2‐acetamido‐3‐mercapto‐3‐methyl‐N‐aryl‐butanamides and 2‐acetamide‐3‐methyl‐3‐nitrososulfanyl‐N‐aryl‐butanamides with p‐methoxy, o‐chloro and m‐chloro substituents is reported. Copyright © 2013 John Wiley & Sons, Ltd.     

Complete assignment of (1)H and (13)C NMR data of dihydroxyflavone derivatives

Six flavone derivatives were studied. Previously reported NMR data of three of these derivatives were corrected and the NMR data for the other three derivatives not studied previously were completely assigned on the basis of the basic 1D and 2D NMR experiments and molecular modeling.     

3‐Methylflavones characterization revisited: complete assignment of 1H and 13C NMR data

Ten 3‐methylflavone derivatives were studied. Previously reported NMR data of some derivatives were corrected and/or completed, including the complete assignment of the two known natural derivatives. The complete ¹H and ¹³C NMR assignments were achieved by combination of one‐dimensional and two‐dimensional NMR experiments. Copyright © 2013 John Wiley & Sons, Ltd.     

Structural determination of ε‐lactams by 1H and 13C NMR

The thermodynamic products (ε‐lactams) of the degradation of ten different spirocyclic oxaziridines were analyzed by ¹H and ¹³C NMR spectroscopy. The preferred conformations were determined by examining the homonuclear spin–spin coupling constant and the chemical shift effects of the N‐substituent and the alkyl group of the aliphatic ring on ¹H and ¹³C NMR spectra. Copyright © 2009 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 1H and 13C NMR spectral assignment of symmetric and asymmetric bis-spiropyran derivatives

(1)H and (13)C NMR spectra of symmetric and asymmetric bis-spiropyrans, Series 1-3, were completely assigned. Especially, the (1)H assignment of asymmetric spiropyrans was achieved by utilizing (1)H-(1)H COSY and nOe experiments. All of the carbons in the dye molecules were investigated through a combination of heteronuclear 2D-shift correlation spectroscopy (HETCOR), together with an attached proton test (APT).     

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.     

Complete assignment of NMR data of 22 phenyl‐1H‐pyrazoles' derivatives

Complete assignment of ¹H and ¹³C NMR chemical shifts and J(¹H/¹H and ¹H/¹⁹F) coupling constants for 22 1‐phenyl‐1H‐pyrazoles' derivates were performed using the concerted application of ¹H 1D and ¹H, ¹³C 2D gs‐HSQC and gs‐HMBC experiments. All 1‐phenyl‐1H‐pyrazoles' derivatives were synthesized as described by Finar and co‐workers. The formylated 1‐phenyl‐1H‐pyrazoles' derivatives were performed under Duff's conditions. Copyright © 2011 John Wiley & Sons, Ltd.     

1H and 13C NMR spectral assignment of androstane derivatives

(1)H and (13)C NMR spectroscopic data for 5alpha-androstanes and halo-5alpha-androstanes with different substituents at positions C-3, C-9, C-11 and C-17 were examined and assigned by a combination of 1D and 2D NMR experiments. The substituent effects on the (13)C chemical shifts were compared with those of epi-androsterone, used as a reference compound. The coupling constants (n)J((19)F,(13)C) were measured for compounds 6, 8, 11 and 14.     

15N NMR spectra of some 3‐substituted 4(1H)‐quinolinones and their 1‐methyl derivatives

¹⁵N NMR spectral data for 3‐substituted (chloro, bromo, acetyl, carboxy, carboethoxy, methylsulfanyl, methylsulfinyl, N,N‐dimethylsulfamoyl, nitro) 4(1H)‐quinolinones and their 1‐methyl derivatives are presented. Copyright © 2003 John Wiley & Sons, Ltd.     

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.     

Complete assignment of the 1H, 13C, 15N and 19F NMR spectra of nine DL-phenylalcoholamide anticonvulsants

The 1H, 13C, 15N and 19F NMR spectra of nine DL-phenylalcoholamides bearing fluorine and chlorine as substituents of the phenyl ring are reported. All of them are active as anticonvulsants in pentylenetetrazole-induced seizures.