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3-Pyridinepropanoic acid, 1,6-dihydro-1-methyl-6-oxo-
SpectraBase Compound ID 9irrYbvb7nu
InChI InChI=1S/C9H11NO3/c1-10-6-7(2-4-8(10)11)3-5-9(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKey HUMCCLYBYKLKQT-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDAk3mkNzmp
Name 3-Pyridinepropanoic acid, 1,6-dihydro-1-methyl-6-oxo-
Alternate Name(s) 1,6-Dihydro-1-methyl-6-oxo-3-pyridinpropansaure 3-(1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)propanoic acid 3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid 3-(1-methyl-6-oxopyridin-3-yl)propanoic acid 3-(1-methyl-6-oxo-3-pyridyl)propanoic acid 3-(1-methyl-6-oxidanylidene-pyridin-3-yl)propanoic acid
CAS Registry Number 100095-22-5
Comments Less than 3 mono-isotopic peaks
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Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-10-6-7(2-4-8(10)11)3-5-9(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKey HUMCCLYBYKLKQT-UHFFFAOYSA-N
Molecular Weight 181.191 g/mol
SMILES OC(CCC1=CN(C(C=C1)=O)C)=O
SPLASH splash10-00di-0900000000-072ced4e6d95336198be
Source of Spectrum K-118-3434-4
Wiley ID 1177394