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1-CARBOXYMETHYLNICOTINIC-ACID

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1-CARBOXYMETHYLNICOTINIC-ACID
SpectraBase Compound ID DJakmp3dxcz
InChI InChI=1S/C8H7NO4/c10-7(11)5-9-3-1-2-6(4-9)8(12)13/h1-4H,5H2,(H-,10,11,12,13)
InChIKey CABOJBWCHSEHQK-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2ZgMHLegqt
Name 1-CARBOXYMETHYLNICOTINIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c10-7(11)5-9-3-1-2-6(4-9)8(12)13/h1-4H,5H2,(H-,10,11,12,13)
InChIKey CABOJBWCHSEHQK-UHFFFAOYSA-N
Literature Reference Author S.MATSUNAGA,T.KAMIMURA,N.FUSETANI
Literature Reference Citation J.NAT.PROD.,61,671(1998)
Literature Reference DOI 10.1021/np970543v
Molecular Weight 181.148 g/mol
Solvent D2O
Source File Reference UWMZ355