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3-(1-Methylethenyl)-6-oxoheptanenitrile
SpectraBase Compound ID CHSZ4JcDJ6C
InChI InChI=1S/C10H15NO/c1-8(2)10(6-7-11)5-4-9(3)12/h10H,1,4-6H2,2-3H3
InChIKey DTWKKDUYCIPQFZ-UHFFFAOYSA-N
Mol Weight 165.24 g/mol
Molecular Formula C10H15NO
Exact Mass 165.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FklBZzCJgpx
Name 3-(1-Methylethenyl)-6-oxoheptanenitrile
Alternate Name(s) 3-(3-ketobutyl)-4-methyl-pent-4-enenitrile 3-isopropenyl-6-oxo-heptanenitrile 4-Methyl-3-(3-oxobutyl)-4-pentenenitrile 6-Oxidanylidene-3-prop-1-en-2-yl-heptanenitrile 6-Oxo-3-prop-1-en-2-ylheptanenitrile
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Formula C10H15NO
InChI InChI=1S/C10H15NO/c1-8(2)10(6-7-11)5-4-9(3)12/h10H,1,4-6H2,2-3H3
InChIKey DTWKKDUYCIPQFZ-UHFFFAOYSA-N
Molecular Weight 165.236 g/mol
SMILES C(#N)CC(C(=C)C)CCC(=O)C
SPLASH splash10-052f-9200000000-6118732c0a3c208684d9
Source of Spectrum SK-20-2129-15
Wiley ID 851573