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2-Propenoic acid, 2-cyano-3-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester
SpectraBase Compound ID BBgAuqEAGht
InChI InChI=1S/C16H19NO2/c1-5-19-15(18)13(11-17)10-12-6-8-14(9-7-12)16(2,3)4/h6-10H,5H2,1-4H3/b13-10+
InChIKey RTRPXXBSAKUJNP-JLHYYAGUSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXEId4QLwgf
Name 2-Propenoic acid, 2-cyano-3-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester
Alternate Name(s) (E)-3-(4-tert-butylphenyl)-2-cyano-2-propenoic acid ethyl ester Ethyl (E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoate Ethyl (E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoate
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Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-5-19-15(18)13(11-17)10-12-6-8-14(9-7-12)16(2,3)4/h6-10H,5H2,1-4H3/b13-10+
InChIKey RTRPXXBSAKUJNP-JLHYYAGUSA-N
Molecular Weight 257.333 g/mol
SMILES c1cc(ccc1C(C)(C)C)\C=C\(C(OCC)=O)C#N
SPLASH splash10-0006-4960000000-e15e63439c5ab8c4a8e3
Source of Spectrum IY-1-4360-1
Wiley ID 1651584