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4-(7-Oxo-oct-2-enoyl)-benzonitrile
SpectraBase Compound ID AReMYLSkQ15
InChI InChI=1S/C15H15NO2/c1-12(17)5-3-2-4-6-15(18)14-9-7-13(11-16)8-10-14/h4,6-10H,2-3,5H2,1H3/b6-4+
InChIKey UVEMOQXJMPIGIK-GQCTYLIASA-N
Mol Weight 241.29 g/mol
Molecular Formula C15H15NO2
Exact Mass 241.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7E1GyI60yex
Name 4-(7-Oxo-oct-2-enoyl)-benzonitrile
Alternate Name(s) (E)-4-(7-oxooct-2-enoyl)benzonitrile 4-[(E)-1,7-dioxooct-2-enyl]benzonitrile 4-[(E)-7-oxooct-2-enoyl]benzonitrile 4-[(E)-7-oxidanylideneoct-2-enoyl]benzenecarbonitrile
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Formula C15H15NO2
InChI InChI=1S/C15H15NO2/c1-12(17)5-3-2-4-6-15(18)14-9-7-13(11-16)8-10-14/h4,6-10H,2-3,5H2,1H3/b6-4+
InChIKey UVEMOQXJMPIGIK-GQCTYLIASA-N
Literature Reference DOI 10.1021/ol9014943
Molecular Weight 241.290 g/mol
SMILES c1cc(ccc1C#N)C(=O)\C=C\CCCC(C)=O
SPLASH splash10-0f8c-5920000000-e601568236fcb31b1aec
Source of Spectrum A1-11-3778/SMS6-7
Wiley ID 1757213