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octanoic acid, phenyl ester

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

octanoic acid, phenyl ester
SpectraBase Compound ID 12vJpa5ait9
InChI InChI=1S/C14H20O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey ZBZSVGXZAPNCSY-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8llMmvT9TS
Name Phenyl octanoate
Alternate Name(s) caprylic acid phenyl ester Octanoic acid phenyl ester
CAS Registry Number 5457-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey ZBZSVGXZAPNCSY-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(=O)(Oc1ccccc1)CCCCCCC
SPLASH splash10-054o-9000000000-a2b9312e6580f2054f93
Wiley ID 1492685