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Heptadecanoic acid, phenylmethyl ester

View entire compound with spectra: 1 MS (GC)

Heptadecanoic acid, phenylmethyl ester
SpectraBase Compound ID DuP5Xe8azNe
InChI InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25)26-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
InChIKey XFIKDNCHPGLFLR-UHFFFAOYSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ky7yh76YYfg
Name Heptadecanoic acid, phenylmethyl ester
Alternate Name(s) Benzyl heptadecanoate (phenylmethyl) heptadecanoate Heptadecanoic acid benzyl ester
CAS Registry Number 74978-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25)26-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
InChIKey XFIKDNCHPGLFLR-UHFFFAOYSA-N
Molecular Weight 360.582 g/mol
SMILES CCCCCCCCCCCCCCCCC(=O)OCc1ccccc1
SPLASH splash10-052f-9620000000-b5df96d5a529af564bf6
Source of Spectrum W5-31563-0-0
Wiley ID 1348706