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3-Methyl-3-pyridin-2-ylbutanoic acid
SpectraBase Compound ID FkivBbqWWZ1
InChI InChI=1S/C10H13NO2/c1-10(2,7-9(12)13)8-5-3-4-6-11-8/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey XNJGBTZKXRXVDJ-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AjPdL1ibJ0
Name 3-Methyl-3-pyridin-2-ylbutanoic acid
Alternate Name(s) 3-Methyl-3-(pyridin-2-yl)butanoic acid 3-Methyl-3-(2-pyridinyl)butanoic acid 3-Methyl-3-(2-pyridyl)butanoic acid 3-Methyl-3-pyridin-2-yl-butanoic acid
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Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-10(2,7-9(12)13)8-5-3-4-6-11-8/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey XNJGBTZKXRXVDJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8000987
Molecular Weight 179.219 g/mol
SMILES OC(CC(C)(c1ncccc1)C)=O
SPLASH splash10-001i-0900000000-4dfa0984aa1792a01df3
Source of Spectrum A1-10-1187/SM19-4l
Wiley ID 1759260