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Benzyl icosanoate

View entire compound with spectra: 2 MS (GC)

Benzyl icosanoate
SpectraBase Compound ID 3lkkeW48nNl
InChI InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(28)29-25-26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3
InChIKey MFBVDRDCUYGRCJ-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUEvzt7SwL6
Name Benzyl icosanoate
Alternate Name(s) (phenylmethyl) icosanoate arachidic acid benzyl ester eicosanoic acid (phenylmethyl) ester
CAS Registry Number 77509-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(28)29-25-26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3
InChIKey MFBVDRDCUYGRCJ-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1
SPLASH splash10-052f-9200000000-0376be2ec887fc378eac
Source of Spectrum W5-0-0-0
Wiley ID 1370673