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2-Benzoyl-3-(4-nitrophenyl)acrylonitrile
SpectraBase Compound ID ALMAC38Gcq3
InChI InChI=1S/C16H10N2O3/c17-11-14(16(19)13-4-2-1-3-5-13)10-12-6-8-15(9-7-12)18(20)21/h1-10H/b14-10+
InChIKey QEXDYRFTUMHTEQ-GXDHUFHOSA-N
Mol Weight 278.27 g/mol
Molecular Formula C16H10N2O3
Exact Mass 278.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5U1mb42r54J
Name 2-Benzoyl-3-(4-nitrophenyl)acrylonitrile
Alternate Name(s) (E)-2-benzoyl-3-(4-nitrophenyl)acrylonitrile (E)-2-benzoyl-3-(4-nitrophenyl)-2-propenenitrile (E)-2-benzoyl-3-(4-nitrophenyl)prop-2-enenitrile (E)-3-(4-nitrophenyl)-2-(phenylcarbonyl)prop-2-enenitrile
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Formula C16H10N2O3
InChI InChI=1S/C16H10N2O3/c17-11-14(16(19)13-4-2-1-3-5-13)10-12-6-8-15(9-7-12)18(20)21/h1-10H/b14-10+
InChIKey QEXDYRFTUMHTEQ-GXDHUFHOSA-N
Literature Reference DOI 10.1021/ol101080q
Molecular Weight 278.267 g/mol
SMILES c1(C(\C(=C\c2ccc(cc2)[N+](=O)[O-])C#N)=O)ccccc1
SPLASH splash10-0a4i-0940000000-d4d8c6ca62ed5257a827
Source of Spectrum A1-12-3066/SMS57-6a
Wiley ID 1752322