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4-(2-cyano-3-oxo-3-phenylprop-1-enyl)benzonitrile
SpectraBase Compound ID 3nNt7XFW2e7
InChI InChI=1S/C17H10N2O/c18-11-14-8-6-13(7-9-14)10-16(12-19)17(20)15-4-2-1-3-5-15/h1-10H/b16-10+
InChIKey MWWFOFPTOCNHDM-MHWRWJLKSA-N
Mol Weight 258.28 g/mol
Molecular Formula C17H10N2O
Exact Mass 258.079313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RGIrSGAKmh
Name 4-(2-cyano-3-oxo-3-phenylprop-1-enyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10N2O
InChI InChI=1S/C17H10N2O/c18-11-14-8-6-13(7-9-14)10-16(12-19)17(20)15-4-2-1-3-5-15/h1-10H/b16-10+
InChIKey MWWFOFPTOCNHDM-MHWRWJLKSA-N
Literature Reference DOI 10.1021/ol101080q
Molecular Weight 258.280 g/mol
SMILES c1(C(\C(=C\c2ccc(cc2)C#N)C#N)=O)ccccc1
SPLASH splash10-0a4i-0960000000-10f4c9b1da1ca3d7afe8
Source of Spectrum A1-12-3066/SMS58-6c
Synonyms (E)-4-(2-cyano-3-oxo-3-phenylprop-1-en-1-yl)benzonitrile 4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzonitrile 4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]benzonitrile 4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]benzenecarbonitrile
Wiley ID 1752324