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1-cyclohexyl-2-keto-nicotinic acid
SpectraBase Compound ID Gdfb3kyddjg
InChI InChI=1S/C12H15NO3/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16)
InChIKey YWOGXCIJALJBBW-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7COfi0m48WI
Name 1-cyclohexyl-2-keto-nicotinic acid
CAS Registry Number 66158-25-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16)
InChIKey YWOGXCIJALJBBW-UHFFFAOYSA-N
Molecular Weight 221.256 g/mol
SMILES OC(C=1C(N(C=CC1)C1CCCCC1)=O)=O
SPLASH splash10-00di-0910000000-2f86472992e26ec9c544
Source of Spectrum Y-21-46-6
Synonyms 1-cyclohexyl-2-oxidanylidene-pyridine-3-carboxylic acid 1-cyclohexyl-2-oxo-3-pyridinecarboxylic acid 1-cyclohexyl-2-oxo-pyridine-3-carboxylic acid
Wiley ID 1221250