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5-Phenyl-valeric acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

5-Phenyl-valeric acid, methyl ester
SpectraBase Compound ID HSJI1nR3SVA
InChI InChI=1S/C12H16O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey BNNWLDUOVGYRLY-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 XlHIwo4HPn
Name Benzenepentanoic acid, methyl ester
Alternate Name(s) Valeric acid, 5-phenyl-, methyl ester Methyl 5-phenylpentanoate 5-Phenylpentanoic acid methyl ester 5-Phenylvaleric acid methyl ester Methyl 5-phenylvalerate
CAS Registry Number 20620-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey BNNWLDUOVGYRLY-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES c1(CCCCC(=O)OC)ccccc1
SPLASH splash10-01ox-9600000000-50eb08fa46d6c19cdcad
Source of Spectrum O-3-1102-3
Wiley ID 21197