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alpha-CYANO-alpha-ISOPROPYL-o-METHYLHYDROCINNAMIC ACID, ETHYL ESTER
SpectraBase Compound ID 3AiKQ32o4KR
InChI InChI=1S/C16H21NO2/c1-5-19-15(18)16(11-17,12(2)3)10-14-9-7-6-8-13(14)4/h6-9,12H,5,10H2,1-4H3
InChIKey LZSRDINHDSZTSD-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBJv9mU0xpv
Name Ethyl 2-cyano-3-methyl-2-(2-methylbenzyl)butanoate
CAS Registry Number 29107-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-5-19-15(18)16(11-17,12(2)3)10-14-9-7-6-8-13(14)4/h6-9,12H,5,10H2,1-4H3
InChIKey LZSRDINHDSZTSD-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES c1cc(c(cc1)CC(C(C)C)(C#N)C(OCC)=O)C
SPLASH splash10-0a4i-2900000000-ceb77abc2617fb953c44
Source of Spectrum NP-7-6645-0
Synonyms Ethyl 2-cyano-3-methyl-2-(O-methylbenzyl)butanoate 2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoic acid ethyl ester Ethyl 2-cyano-3-methyl-2-(o-tolylmethyl)butanoate Ethyl 2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoate
Wiley ID 1106700