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3-Cyano-4-isopropyl-6-methyl-2(1H)-pyridinone
SpectraBase Compound ID IKEz2mNbthd
InChI InChI=1S/C10H12N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6H,1-3H3,(H,12,13)
InChIKey GZNMYDYALSFMOX-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 Hpe90z1DodN
Name 3-Cyano-4-isopropyl-6-methyl-2(1H)-pyridinone
Alternate Name(s) 4-isopropyl-2-keto-6-methyl-1H-pyridine-3-carbonitrile 4-isopropyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile 6-methyl-2-oxidanylidene-4-propan-2-yl-1H-pyridine-3-carbonitrile 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6H,1-3H3,(H,12,13)
InChIKey GZNMYDYALSFMOX-UHFFFAOYSA-N
Molecular Weight 176.219 g/mol
SMILES N1C(=CC(=C(C1=O)C#N)C(C)C)C
SPLASH splash10-01t9-0900000000-c7f41a5c10d6a9a4d76b
Source of Spectrum J-64-9497-4
Wiley ID 1531872