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benzyl octacosanoate
SpectraBase Compound ID 60fSWgvmo26
InChI InChI=1S/C35H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-35(36)37-33-34-30-27-26-28-31-34/h26-28,30-31H,2-25,29,32-33H2,1H3
InChIKey ZNQFQCYMBZOKPV-UHFFFAOYSA-N
Mol Weight 514.9 g/mol
Molecular Formula C35H62O2
Exact Mass 514.474981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKqF86tzucs
Name benzyl octacosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H62O2
InChI InChI=1S/C35H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-35(36)37-33-34-30-27-26-28-31-34/h26-28,30-31H,2-25,29,32-33H2,1H3
InChIKey ZNQFQCYMBZOKPV-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 514.879 g/mol
SMILES c1(ccccc1)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9300000000-f924a89c888bbb41c83c
Source of Spectrum CBD-18-SM22-Figure S9-7
Wiley ID 1865233