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Benzenepropanoic acid, .beta.-methyl-, ethyl ester
SpectraBase Compound ID 7srDzxZQ7dR
InChI InChI=1S/C12H16O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKey SJPWEMZQXWYDSY-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 B2YV245gjqq
Name Benzenepropanoic acid, .beta.-methyl-, ethyl ester
Alternate Name(s) Ethyl 3-phenylbutanoate 3-Phenylbutanoic acid ethyl ester 3-Phenylbutyric acid ethyl ester
CAS Registry Number 62690-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKey SJPWEMZQXWYDSY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900618
Molecular Weight 192.258 g/mol
SMILES C(CC(C)c1ccccc1)(=O)OCC
SPLASH splash10-0aor-2900000000-e5c26d91127d4c707bc1
Source of Spectrum ASC-352-103/SM11-6h
Wiley ID 1763836