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3-CYANO-4-METHYL-6-PROPYL-2(1H)-PYRIDONE
SpectraBase Compound ID 55fcKdSgnV3
InChI InChI=1S/C10H12N2O/c1-3-4-8-5-7(2)9(6-11)10(13)12-8/h5H,3-4H2,1-2H3,(H,12,13)
InChIKey ZZZPJCCGVJYNAH-UHFFFAOYSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTWcNhZItuy
Name 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-propyl-
Alternate Name(s) 2-keto-4-methyl-6-propyl-1H-pyridine-3-carbonitrile 4-methyl-2-oxidanylidene-6-propyl-1H-pyridine-3-carbonitrile 4-methyl-2-oxo-6-propyl-1,2-dihydro-3-pyridinecarbonitrile 4-methyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
CAS Registry Number 113123-40-3
Comments Less than 3 mono-isotopic peaks
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Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c1-3-4-8-5-7(2)9(6-11)10(13)12-8/h5H,3-4H2,1-2H3,(H,12,13)
InChIKey ZZZPJCCGVJYNAH-UHFFFAOYSA-N
Molecular Weight 176.219 g/mol
SMILES N1C(=CC(=C(C1=O)C#N)C)CCC
SPLASH splash10-03di-0900000000-9ebae77a7f9c72a9fd8d
Source of Spectrum Y-24-712-2
Wiley ID 1172300