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Benzenepropanoic acid, .beta.-(1,1-dimethylethyl)-4-methyl-, ethyl ester
SpectraBase Compound ID 1KozgQ1QWih
InChI InChI=1S/C16H24O2/c1-6-18-15(17)11-14(16(3,4)5)13-9-7-12(2)8-10-13/h7-10,14H,6,11H2,1-5H3
InChIKey YPRADWGBNYTOLS-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTCmx7mtBT0
Name Benzenepropanoic acid, .beta.-(1,1-dimethylethyl)-4-methyl-, ethyl ester
Alternate Name(s) Ethyl 4,4-dimethyl-3-(4-methylphenyl)pentanoate
CAS Registry Number 80152-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-6-18-15(17)11-14(16(3,4)5)13-9-7-12(2)8-10-13/h7-10,14H,6,11H2,1-5H3
InChIKey YPRADWGBNYTOLS-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C(C(C)(C)C)(CC(=O)OCC)c1ccc(cc1)C
SPLASH splash10-052g-0900000000-0f4a2c7cb2dfdae09066
Source of Spectrum SB-35-427-0
Wiley ID 1251589