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4-Phenylbutyric acid ethyl ester
SpectraBase Compound ID 9PRzxeAQzlD
InChI InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey GGFNXKFGVQQNRV-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 JF6bCUqSgpr
Name Benzenebutanoic acid, ethyl ester
CAS Registry Number 10031-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey GGFNXKFGVQQNRV-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES C(=O)(OCC)CCCc1ccccc1
SPLASH splash10-0gvy-9500000000-43ce1ba225df42ca78d6
Source of Spectrum SD-1981-0-0
Synonyms Butyric acid, 4-phenyl-, ethyl ester Ethyl 4-phenylbutanoate 4-Phenylbutanoic acid ethyl ester 4-Phenylbutyric acid ethyl ester Ethyl 4-phenylbutyrate Ethyl benzenebutanoate Ethyl gamma-phenylbutyrate AI3-34131 FEMA NO. 2453
Wiley ID 1188560