For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

AFB-N7-ADENINE-ADDUCT

Compound with spectra: 1 NMR

AFB-N7-ADENINE-ADDUCT
SpectraBase Compound ID J8hd4e675cA
InChI InChI=1S/C22H17N5O7/c1-31-9-4-10-13(17-12(9)7-2-3-8(28)11(7)21(30)33-17)14-16(29)20(34-22(14)32-10)27-6-26-19-15(27)18(23)24-5-25-19/h4-6,14,16,20,22,29H,2-3H2,1H3,(H2,23,24,25)/t14-,16-,20-,22+/m1/s1
InChIKey PXJQACCWTWYEKA-YKHKRFOZSA-N
Mol Weight 463.41 g/mol
Molecular Formula C22H17N5O7
Exact Mass 463.112798 g/mol
Enantiomer InChIKey PXJQACCWTWYEKA-OZOIZYBVSA-N

View Spectrum of AFB-N7-ADENINE-ADDUCT

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Adenine Adduct of Aflatoxin B1 Epoxide Journal of the American Chemical Society 1994

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.