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Ethyl 3-cyano-4-(1,1-dimethylethyl)benzoate
SpectraBase Compound ID GVwK0quYXSh
InChI InChI=1S/C14H17NO2/c1-5-17-13(16)10-6-7-12(14(2,3)4)11(8-10)9-15/h6-8H,5H2,1-4H3
InChIKey CKQILHDROGJZEN-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x45CM3tKp6
Name Ethyl 3-cyano-4-(1,1-dimethylethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-5-17-13(16)10-6-7-12(14(2,3)4)11(8-10)9-15/h6-8H,5H2,1-4H3
InChIKey CKQILHDROGJZEN-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES c1(c(ccc(C(=O)OCC)c1)C(C)(C)C)C#N
SPLASH splash10-014i-0290000000-b78da6964f7f7ba35cf2
Source of Spectrum C-119-8800-11
Synonyms Ethyl 4-tert-butyl-3-cyanobenzoate
Wiley ID 760604