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Pentanoic acid, phenylmethyl ester

View entire compound with spectra: 7 MS (GC)

Pentanoic acid, phenylmethyl ester
SpectraBase Compound ID 4PdQNuxQLKf
InChI InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey YZJCDVRXBOPXSQ-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 FpHLirzyxzA
Name Pentanoic acid, phenylmethyl ester
Alternate Name(s) Valeric acid, benzyl ester (phenylmethyl) pentanoate Benzyanyl Benzyl N-valerate Benzyl pentanoate Benzyl valerate Benzyl valerianate Pentanoic acid (phenylmethyl) ester AI3-02946 EINECS 233-789-7
CAS Registry Number 10361-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey YZJCDVRXBOPXSQ-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES c1cc(ccc1)COC(CCCC)=O
SPLASH splash10-052f-9300000000-f2d9d299833aa5bc20d0
Source of Spectrum LQ-1992-1191-0
Wiley ID 1188549