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Ethyl 2-(4-cyanophenyl)-2-methylpropanoate
SpectraBase Compound ID JrhMNavVWF6
InChI InChI=1S/C13H15NO2/c1-4-16-12(15)13(2,3)11-7-5-10(9-14)6-8-11/h5-8H,4H2,1-3H3
InChIKey NSOGXDBGGGHWQS-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUfFK9x3QZW
Name Ethyl 2-(4-cyanophenyl)-2-methylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-4-16-12(15)13(2,3)11-7-5-10(9-14)6-8-11/h5-8H,4H2,1-3H3
InChIKey NSOGXDBGGGHWQS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200194y
Molecular Weight 217.268 g/mol
SMILES c1c(ccc(c1)C(C(=O)OCC)(C)C)C#N
SPLASH splash10-00kf-0900000000-97969f9a0b71ad24f5ff
Source of Spectrum A1-13-1690/SMS18-6c
Synonyms 2-(4-cyanophenyl)-2-methylpropanoic acid ethyl ester Ethyl 2-(4-cyanophenyl)-2-methyl-propanoate
Wiley ID 1752942