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benzyl 25-methylhexacosanoate
SpectraBase Compound ID Jdz5v39IbDx
InChI InChI=1S/C34H60O2/c1-32(2)27-23-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-26-30-34(35)36-31-33-28-24-22-25-29-33/h22,24-25,28-29,32H,3-21,23,26-27,30-31H2,1-2H3
InChIKey WEQNXCXZBVAFOK-UHFFFAOYSA-N
Mol Weight 500.9 g/mol
Molecular Formula C34H60O2
Exact Mass 500.459331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ej7FfydSWi
Name benzyl 25-methylhexacosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H60O2
InChI InChI=1S/C34H60O2/c1-32(2)27-23-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-26-30-34(35)36-31-33-28-24-22-25-29-33/h22,24-25,28-29,32H,3-21,23,26-27,30-31H2,1-2H3
InChIKey WEQNXCXZBVAFOK-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 500.852 g/mol
SMILES c1(ccccc1)COC(CCCCCCCCCCCCCCCCCCCCCCCC(C)C)=O
SPLASH splash10-052f-9200000000-f5edfe9f101f82324e0e
Source of Spectrum CBD-18-SM21-Figure S9-4
Wiley ID 1865230