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Benzenepropanoic acid, .beta.,.beta.-dimethyl-, methyl ester
SpectraBase Compound ID 85NsSCYkoMc
InChI InChI=1S/C12H16O2/c1-12(2,9-11(13)14-3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey HADBALPGBGLKDU-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FnQedTBHSI
Name Benzenepropanoic acid, .beta.,.beta.-dimethyl-, methyl ester
CAS Registry Number 25080-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-12(2,9-11(13)14-3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey HADBALPGBGLKDU-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES CC(C)(CC(=O)OC)c1ccccc1
SPLASH splash10-014i-4900000000-ee4d7c4706962b6c564c
Source of Spectrum O-2-791-1
Synonyms 3-Methyl-3-phenyl-butyric acid methyl ester Methyl 3-methyl-3-phenylbutanoate Hydrocinnamic acid, .beta.,.beta.-dimethyl-, methyl ester 3-Methyl-3-phenylbutanoic acid methyl ester Methyl 2-methyl-2-phenylbutanoate Methyl 3-methyl-3-phenyl-butanoate
Wiley ID 1188568