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Phenylethyl heptanoate

View entire compound with spectra: 2 MS (GC)

Phenylethyl heptanoate
SpectraBase Compound ID KFNaVQKcYfH
InChI InChI=1S/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKey YMPDQHXHLKFWNN-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf0AIzEusA7
Name Heptanoic acid, 2-phenylethyl ester
Alternate Name(s) 2-Phenylethyl heptanoate enanthic acid phenethyl ester Phenethyl heptanoate Phenylethyl heptanoate Phenylethyl heptylate Phenylethyl n-heptanoate
CAS Registry Number 5454-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKey YMPDQHXHLKFWNN-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES c1ccc(cc1)CCOC(CCCCCC)=O
SPLASH splash10-0udl-5900000000-15e9b27be374f1eec7d5
Source of Spectrum LQ-1992-1538-0
Wiley ID 1236378