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4-(3-Phenylpropioloyl)benzonitrile

View entire compound with spectra: 3 MS (GC)

4-(3-Phenylpropioloyl)benzonitrile
SpectraBase Compound ID F3odNHa711s
InChI InChI=1S/C16H9NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10H
InChIKey FPMZWZIBRYEEGL-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C16H9NO
Exact Mass 231.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56R8miLuzKF
Name 4-(3-Phenylpropioloyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO
InChI InChI=1S/C16H9NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10H
InChIKey FPMZWZIBRYEEGL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102993y
Molecular Weight 231.254 g/mol
SMILES C(#Cc1ccccc1)C(=O)c1ccc(cc1)C#N
SPLASH splash10-0fc0-0490000000-fc2f1568aa8ca546d1b1
Source of Spectrum A1-13-944/SMS6-3ka
Synonyms 4-(1-oxo-3-phenylprop-2-ynyl)benzonitrile 4-(3-phenylprop-2-ynoyl)benzonitrile 4-(3-phenylprop-2-ynoyl)benzenecarbonitrile
Wiley ID 1752756