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2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester
SpectraBase Compound ID AWOFFcU3GdT
InChI InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10+
InChIKey AJDOTEWSLNGINB-ZRDIBKRKSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIwwiFIGrKQ
Name (E)-2-cyano-3-phenyl-2-butenoic acid ethyl ester
CAS Registry Number 18300-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10+
InChIKey AJDOTEWSLNGINB-ZRDIBKRKSA-N
Molecular Weight 215.252 g/mol
SMILES c1(\C(=C\(C(=O)OCC)C#N)C)ccccc1
SPLASH splash10-0kdl-9200000000-3687da23ad189e9ea14c
Source of Spectrum C5-2003-559-3
Synonyms (E)-2-cyano-3-phenyl-but-2-enoic acid ethyl ester .alpha.-Cyano-.beta.-phenyl-methacrylic acid, ethyl ester 2-Cyano-3-phenyl-3-methyl-propenoic acid, ethyl ester 2-Cyano-3-phenyl-3-methyl-propensaeuremethylester 2-Cyano-3-phenylcrotonic acid ethyl ester Crotonic acid, 2-cyano-3-phenyl-, ethyl ester Ethyl (2E)-2-cyano-3-phenyl-2-butenoate Ethyl (E)-2-cyano-3-phenyl-but-2-enoate
Wiley ID 1615529