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3-Pyridineacetic acid, 1,6-dihydro-1-methyl-6-oxo-
SpectraBase Compound ID FfBMo7PtqQd
InChI InChI=1S/C8H9NO3/c1-9-5-6(4-8(11)12)2-3-7(9)10/h2-3,5H,4H2,1H3,(H,11,12)
InChIKey KIXSJIXASWWFTE-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 5Dh6tYszHHD
Name 3-Pyridineacetic acid, 1,6-dihydro-1-methyl-6-oxo-
Alternate Name(s) (1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)acetic acid 1,6-Dihydro-1-methyl-6-oxo-3-pyridineacetic acid 2-(1-methyl-6-oxo-3-pyridinyl)acetic acid 2-(1-methyl-6-oxopyridin-3-yl)acetic acid 2-(1-methyl-6-oxo-3-pyridyl)acetic acid 2-(1-methyl-6-oxidanylidene-pyridin-3-yl)ethanoic acid
CAS Registry Number 101074-55-9
Comments Less than 3 mono-isotopic peaks
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Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-9-5-6(4-8(11)12)2-3-7(9)10/h2-3,5H,4H2,1H3,(H,11,12)
InChIKey KIXSJIXASWWFTE-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES OC(CC1=CN(C(C=C1)=O)C)=O
SPLASH splash10-00di-0900000000-005cde151c7a63cdd3c6
Source of Spectrum K-118-4094-6
Wiley ID 1163544