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3-Pyridinepropanoic acid, 1,2-dihydro-1-methyl-2-oxo-
SpectraBase Compound ID AA6Ai616GTU
InChI InChI=1S/C9H11NO3/c1-10-6-2-3-7(9(10)13)4-5-8(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey BBWCFGULYFOUPL-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 9SIUIbj1vLV
Name 3-Pyridinepropanoic acid, 1,2-dihydro-1-methyl-2-oxo-
Alternate Name(s) 3-(1-methyl-2-oxo-3-pyridinyl)propanoic acid 3-(1-methyl-2-oxopyridin-3-yl)propanoic acid 3-(1-methyl-2-oxo-3-pyridyl)propanoic acid 3-(1-methyl-2-oxidanylidene-pyridin-3-yl)propanoic acid
CAS Registry Number 100095-21-4
Comments Less than 3 mono-isotopic peaks
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Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-10-6-2-3-7(9(10)13)4-5-8(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey BBWCFGULYFOUPL-UHFFFAOYSA-N
Molecular Weight 181.191 g/mol
SMILES OC(CCC=1C(N(C=CC1)C)=O)=O
SPLASH splash10-000i-0900000000-6bef8428ee581890bedf
Source of Spectrum K-118-3434-1
Wiley ID 1177393