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Ethyl 2-(4-cyano-2-methylphenyl)acetate
SpectraBase Compound ID 71HVxpxEg7H
InChI InChI=1S/C12H13NO2/c1-3-15-12(14)7-11-5-4-10(8-13)6-9(11)2/h4-6H,3,7H2,1-2H3
InChIKey YUSCMDQZAVIBKB-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfLwh6zFget
Name Ethyl 2-(4-cyano-2-methylphenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-3-15-12(14)7-11-5-4-10(8-13)6-9(11)2/h4-6H,3,7H2,1-2H3
InChIKey YUSCMDQZAVIBKB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201100102
Molecular Weight 203.241 g/mol
SMILES C(Cc1c(cc(cc1)C#N)C)(=O)OCC
SPLASH splash10-0f89-0910000000-50b9099cb28d73086ca6
Source of Spectrum ASC-353-1565/SM10-3r
Synonyms 2-(4-cyano-2-methylphenyl)acetic acid ethyl ester Ethyl 2-(4-cyano-2-methyl-phenyl)acetate Ethyl 2-(4-cyano-2-methyl-phenyl)ethanoate
Wiley ID 1762568