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(E)-4-(4'-Cyanophenyl)-3-buten-2-one
SpectraBase Compound ID AjyCMahOGvi
InChI InChI=1S/C11H9NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h2-7H,1H3/b3-2+
InChIKey HQBRLWSRWSICCF-NSCUHMNNSA-N
Mol Weight 171.2 g/mol
Molecular Formula C11H9NO
Exact Mass 171.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xWtgtWeMb4
Name (E)-4-(4'-Cyanophenyl)-3-buten-2-one
Alternate Name(s) (E)-4-(3-oxobut-1-en-1-yl)benzonitrile 4-[(E)-3-oxobut-1-enyl]benzonitrile 4-[(E)-3-oxidanylidenebut-1-enyl]benzenecarbonitrile
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Formula C11H9NO
InChI InChI=1S/C11H9NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h2-7H,1H3/b3-2+
InChIKey HQBRLWSRWSICCF-NSCUHMNNSA-N
Literature Reference DOI 10.1002/adsc.200900902
Molecular Weight 171.199 g/mol
SMILES c1c(ccc(\C=C\C(C)=O)c1)C#N
SPLASH splash10-0a6r-1900000000-0a2032019835e076f7b7
Source of Spectrum ASC-352-1135/SM9-4i
Wiley ID 1764400