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Trigonelline

View entire compound with spectra: 4 NMR

Trigonelline
SpectraBase Compound ID JXuCu5a5bNm
InChI InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1
InChIKey WWNNZCOKKKDOPX-UHFFFAOYSA-O
Mol Weight 138.15 g/mol
Molecular Formula C7H8NO2
Exact Mass 138.055503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHnBHHOKSLj
Name TRIGONELLINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8NO2
InChI InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1
InChIKey WWNNZCOKKKDOPX-UHFFFAOYSA-O
Literature Reference Author F.WEI,K.FURIHATA,F.HU,T.MIYAKAWA,M.TANOKURA
Literature Reference Citation MAGN.RES.CHEM.,48,857(2010)
Literature Reference DOI 10.1002/mrc.2678
Molecular Weight 138.146 g/mol
Solvent Unknown
Source File Reference UWIR16781