1H, 13C and 15N NMR investigation of a new,condensed hexahydro‐1,3,5‐triazine

Treatment of 2‐acetyl‐2‐methylcyclopentanone with hydrazine hydrate yielded a new condensed hexahydro‐1,3,5‐triazine (3b), which is the first example of the ketimine‐type trimers. A complete ¹H, ¹³C and ¹⁵N NMR assignment of the compound was achieved. Copyright © 2003 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 1H and 13C NMR spectra of α‐phenylsulfinyl‐N‐methoxy‐ N‐methylpropionamide and some p‐substituted derivatives

The complete assignment of the ¹H and ¹³C NMR spectra of the diastereomeric pairs of some α‐arylsulfinyl‐substituted N‐methoxy‐N‐methylpropionamides with the substituents methoxy, methyl, chloro, nitro is reported. Copyright © 2008 John Wiley & Sons, Ltd.     

1H and 13C NMR data for indolo[2,3-b]quinoline-aminoglycoside hybrids, a novel potent anticancer drug family

The complete NMR signal assignment of title compounds were carried out by extensive use of 1D and 2D NMR techniques (1H, 13C, GCOSY, GHSQC and GHMBC).     

1H, 13C and 15N NMR data for indolo[2,3‐b]quinolines,a novel potent anticancer drug family

The complete NMR signal assignment of title compounds were carried out by extensive use of 1D and 2D NMR techniques (1H, 13C, COSY, HSQC and HMBC). 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.     

1H and 13C NMR spectral assignments of 2′‐hydroxychalcones

Chalcones are of interest to medicinal chemists because their structures can be easily modified with various functional groups. The syntheses and biological activities of chalcones from natural sources are well known. In this study, 24 2′‐hydroxychalcones bearing methoxy substituents were synthesized, among which five are new. The NMR data for all synthesized chalcones are described for the first time. The complete assignments of the ¹H and ¹³C NMR data can be used for the identification of newly discovered and widely isolated, synthesized chalcones. Copyright © 2013 John Wiley & Sons, Ltd.     

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 NMR spectral characterization of some antimalarial in vitro 2,4‐diamino‐10‐methylpyrimido[4,5‐b]‐5‐quinolone derivatives

We report the ¹H NMR and ¹³C NMR chemical shifts and J(H,H), J(H,F) and J(C,F) coupling constants of 13 2,4‐diamino‐10‐methylpyrimido[4,5‐b]‐5‐quinolone derivatives, some of them with moderate activity against Plasmodium falciparum in vitro. They were characterized and assigned on the basis of ¹H, ¹³C and ¹³C–¹H (short‐ and long‐range) correlated spectra. Copyright © 2002 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 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.     

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.     

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.     

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.     

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.     

1H and 13C NMR study of 2‐hydroxyglutaric acid and its lactone

Determination of the level and absolute configuration of 2‐hydroxyglutaric acid in a patient's urine is a method of diagnosing two metabolic diseases. Such a determination can be done with the aid of NMR spectroscopic methods. In this paper the careful interpretation of ¹H and ¹³C NMR spectra of this metabolite and its lactone measured under conditions used in biomedical assays is reported. The ¹H chemical shifts and spin–spin coupling constants were derived using the total lineshape analysis method. Copyright © 2002 John Wiley & Sons, Ltd.     

1H and 13C NMR assignments of four series bioactive pyrido[4,3‐d]pyrimidine derivatives

The complete ¹H and ¹³C NMR assignments of four series pyrido[4,3‐d]pyrimidine derivatives were achieved by combination of one and two‐dimensional NMR experiments, and the NMR signals of these compounds were analyzed and compared. Copyright © 2012 John Wiley & Sons, Ltd.     

1H and 13C NMR assignments of bioactive indeno[1,2‐b]indole‐10‐one derivatives

The complete ¹H and ¹³C assignments of eight bioactive indeno[1,2‐b]indole‐10‐one derivatives were accomplished by the combined use of one‐dimensional and two‐dimensional NMR experiments. Copyright © 2013 John Wiley & Sons, Ltd.