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Benzenepropanoic acid, .alpha.-cyano-.alpha.-[(4-nitrophenyl)azo]-, ethyl ester
SpectraBase Compound ID CIBRb8kpU6T
InChI InChI=1S/C18H16N4O4/c1-2-26-18(23)16(12-19)17(13-6-4-3-5-7-13)21-20-14-8-10-15(11-9-14)22(24)25/h3-11,16-17H,2H2,1H3/b21-20+
InChIKey BNYGKRFEIMSPCH-QZQOTICOSA-N
Mol Weight 352.35 g/mol
Molecular Formula C18H16N4O4
Exact Mass 352.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gCslCvDQMy
Name Benzenepropanoic acid, .alpha.-cyano-.alpha.-[(4-nitrophenyl)azo]-, ethyl ester
CAS Registry Number 64710-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O4
InChI InChI=1S/C18H16N4O4/c1-2-26-18(23)16(12-19)17(13-6-4-3-5-7-13)21-20-14-8-10-15(11-9-14)22(24)25/h3-11,16-17H,2H2,1H3/b21-20+
InChIKey BNYGKRFEIMSPCH-QZQOTICOSA-N
Molecular Weight 352.350 g/mol
SMILES c1(N(=O)=O)ccc(\N=N\C(C(C(=O)OCC)C#N)c2ccccc2)cc1
SPLASH splash10-0a6u-9500000000-506de668a95bdfacc955
Source of Spectrum O-12-104-4
Synonyms (4-nitrophenylazo)-benzyl cyano acetic acid ethyl ester Ethyl 2-cyano-3-[(E)-(4-nitrophenyl)diazenyl]-3-phenylpropanoate N-nitrophenyl-N'-(1-cyano-1-ethoxycarbonyl-2-phenyl-ethyl)-diazene
Wiley ID 1343104