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3-Pyridineacetic acid, 1,2-dihydro-1-methyl-2-oxo-
SpectraBase Compound ID FPPqrzQOOkY
InChI InChI=1S/C8H9NO3/c1-9-4-2-3-6(8(9)12)5-7(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKey HGBTWFGOJLSEAG-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID t0a8nREJxz
Name 3-Pyridineacetic acid, 1,2-dihydro-1-methyl-2-oxo-
Alternate Name(s) (1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)acetic acid 1,2-Dihydro-1-methyl-2-oxo-3-pyridineacetic acid 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid 2-(1-methyl-2-oxopyridin-3-yl)acetic acid 2-(1-methyl-2-oxo-3-pyridyl)acetic acid 2-(1-methyl-2-oxidanylidene-pyridin-3-yl)ethanoic acid
CAS Registry Number 101074-54-8
Comments Less than 3 mono-isotopic peaks
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Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-9-4-2-3-6(8(9)12)5-7(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKey HGBTWFGOJLSEAG-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES OC(CC=1C(N(C=CC1)C)=O)=O
SPLASH splash10-00di-0900000000-edfd7901ea15660b0a42
Source of Spectrum K-118-4094-5
Wiley ID 1163543