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4-(1-methyl-2-oxidanylidene-pyridin-3-yl)butanoic acid
SpectraBase Compound ID AiC1aUPuUNG
InChI InChI=1S/C10H13NO3/c1-11-7-3-5-8(10(11)14)4-2-6-9(12)13/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKey XGAFXWVICNZOBI-UHFFFAOYSA-N
Mol Weight 195.22 g/mol
Molecular Formula C10H13NO3
Exact Mass 195.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aBhShZiZCX
Name 4-(1-methyl-2-oxidanylidene-pyridin-3-yl)butanoic acid
CAS Registry Number 100095-25-8
Comments Less than 3 mono-isotopic peaks
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Formula C10H13NO3
InChI InChI=1S/C10H13NO3/c1-11-7-3-5-8(10(11)14)4-2-6-9(12)13/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKey XGAFXWVICNZOBI-UHFFFAOYSA-N
Molecular Weight 195.218 g/mol
SMILES OC(CCCC=1C(N(C=CC1)C)=O)=O
SPLASH splash10-000i-0900000000-05066bdfc6d43cd18e5c
Source of Spectrum K-118-3435-1
Synonyms 4-(1-methyl-2-oxo-3-pyridinyl)butanoic acid 4-(1-methyl-2-oxo-3-pyridyl)butanoic acid 4-(1-methyl-2-oxopyridin-3-yl)butanoic acid 4-(2-keto-1-methyl-3-pyridyl)butyric acid
Wiley ID 1191996