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3-Cyanopropiophenone
SpectraBase Compound ID FpPUfOcUEH8
InChI InChI=1S/C10H9NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3
InChIKey RQNDMQXNIOALFA-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C10H9NO
Exact Mass 159.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOAJgvq5cXW
Name 3-Cyanopropiophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO
InChI InChI=1S/C10H9NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3
InChIKey RQNDMQXNIOALFA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1028892
Molecular Weight 159.188 g/mol
SMILES c1(cc(C#N)ccc1)C(=O)CC
SPLASH splash10-001i-0900000000-1a0004b772715a12f858
Source of Spectrum A1-13-648/SMS8-Table2,entry8
Synonyms 4-Keto-4-phenyl-butyronitrile 3-Propionylbenzonitrile 4-Oxidanylidene-4-phenyl-butanenitrile 4-Oxo-4-phenyl-butanenitrile 3-(1-Oxopropyl)benzonitrile 3-Propanoylbenzonitrile 3-Propanoylbenzenecarbonitrile
Wiley ID 1749869