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Hexanoic acid, phenyl ester

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

Hexanoic acid, phenyl ester
SpectraBase Compound ID HuIFDqcC2KP
InChI InChI=1S/C12H16O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKey SOOXQKVMQBCEGW-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 KXWOIzcKrhU
Name Hexanoic acid, phenyl ester
CAS Registry Number 7780-16-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKey SOOXQKVMQBCEGW-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES c1ccc(cc1)OC(CCCCC)=O
SPLASH splash10-0006-9000000000-f1ee44dab994cb7f6719
Source of Spectrum SD-1981-0-0
Synonyms Phenyl caproate Phenyl hexanoate
Wiley ID 1188545