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3-Pyridinebutanoic acid, 1,6-dihydro-1-methyl-6-oxo-
SpectraBase Compound ID KscL886DF2i
InChI InChI=1S/C10H13NO3/c1-11-7-8(5-6-9(11)12)3-2-4-10(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey FZOZDNOTSCXOND-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 AIb1RIy8nB
Name 3-Pyridinebutanoic acid, 1,6-dihydro-1-methyl-6-oxo-
CAS Registry Number 100095-26-9
Comments Less than 3 mono-isotopic peaks
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Formula C10H13NO3
InChI InChI=1S/C10H13NO3/c1-11-7-8(5-6-9(11)12)3-2-4-10(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey FZOZDNOTSCXOND-UHFFFAOYSA-N
Molecular Weight 195.218 g/mol
SMILES OC(CCCC1=CN(C(C=C1)=O)C)=O
SPLASH splash10-00di-0900000000-1a1a91a78bac71a5b467
Source of Spectrum K-118-3435-4
Synonyms 1,6-Dihydro-1-methyl-6-oxo-3-pyridinbutanoic acid 4-(1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)butanoic acid 4-(1-methyl-6-oxo-3-pyridinyl)butanoic acid 4-(1-methyl-6-oxopyridin-3-yl)butanoic acid 4-(1-methyl-6-oxo-3-pyridyl)butanoic acid 4-(1-methyl-6-oxidanylidene-pyridin-3-yl)butanoic acid
Wiley ID 1191997