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Benzenepropanoic acid, .beta.-(1,1-dimethylethyl)-, ethyl ester
SpectraBase Compound ID CC8MVTleneV
InChI InChI=1S/C15H22O2/c1-5-17-14(16)11-13(15(2,3)4)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3
InChIKey QETKSZHQDORQGW-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kz1xLlYgIgW
Name Benzenepropanoic acid, .beta.-(1,1-dimethylethyl)-, ethyl ester
Alternate Name(s) Ethyl 3,3-dimethyl-2-(phenylmethyl)butanoate Ethyl 4,4-dimethyl-3-phenylpentanoate
CAS Registry Number 57042-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-5-17-14(16)11-13(15(2,3)4)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3
InChIKey QETKSZHQDORQGW-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(C(C)(C)C)(CC(=O)OCC)c1ccccc1
SPLASH splash10-004l-4900000000-059af0dcc654431dfc95
Source of Spectrum SB-35-425-0
Wiley ID 1236285