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4-phenylvaleric acid, methyl ester
SpectraBase Compound ID KY1SsMlt75V
InChI InChI=1S/C12H16O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey DERQHEGYXXCHMR-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 16IosLXcshM
Name Benzenebutanoic acid, .gamma.-methyl-, methyl ester
CAS Registry Number 20881-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey DERQHEGYXXCHMR-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES CC(CCC(=O)OC)c1ccccc1
SPLASH splash10-066r-3900000000-b454ce333096026b2d19
Source of Spectrum O-3-1101-2
Synonyms Valeric acid, 4-phenyl-, methyl ester 4-Phenylpentanoic acid methyl ester 4-Phenylvaleric acid methyl ester Methyl 4-phenylpentanoate
Wiley ID 21189