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2-Benzoyl-3-p-tolylacrylonitrile
SpectraBase Compound ID 7gTkhklz7au
InChI InChI=1S/C17H13NO/c1-13-7-9-14(10-8-13)11-16(12-18)17(19)15-5-3-2-4-6-15/h2-11H,1H3/b16-11+
InChIKey CLBTVLCRSHJGOF-LFIBNONCSA-N
Mol Weight 247.3 g/mol
Molecular Formula C17H13NO
Exact Mass 247.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxjWqkycAep
Name 2-Benzoyl-3-p-tolylacrylonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO
InChI InChI=1S/C17H13NO/c1-13-7-9-14(10-8-13)11-16(12-18)17(19)15-5-3-2-4-6-15/h2-11H,1H3/b16-11+
InChIKey CLBTVLCRSHJGOF-LFIBNONCSA-N
Literature Reference DOI 10.1021/ol101080q
Molecular Weight 247.297 g/mol
SMILES c1(C(\C(C#N)=C\c2ccc(cc2)C)=O)ccccc1
SPLASH splash10-053s-0390000000-1a54d93aa05a3361d338
Source of Spectrum A1-12-3066/SMS58-6d
Synonyms (E)-2-benzoyl-3-(p-tolyl)acrylonitrile (E)-2-benzoyl-3-(4-methylphenyl)-2-propenenitrile (E)-2-benzoyl-3-(4-methylphenyl)prop-2-enenitrile (E)-2-benzoyl-3-(p-tolyl)prop-2-enenitrile (E)-3-(4-methylphenyl)-2-(phenylcarbonyl)prop-2-enenitrile
Wiley ID 1752325