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Benzyl 27-methyloctacosanoate
SpectraBase Compound ID 9VX2SrvQUD3
InChI InChI=1S/C36H64O2/c1-34(2)29-25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28-32-36(37)38-33-35-30-26-24-27-31-35/h24,26-27,30-31,34H,3-23,25,28-29,32-33H2,1-2H3
InChIKey XECKKZZQPPUCAD-UHFFFAOYSA-N
Mol Weight 528.9 g/mol
Molecular Formula C36H64O2
Exact Mass 528.490631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjzVqQmttAP
Name Benzyl 27-methyloctacosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H64O2
InChI InChI=1S/C36H64O2/c1-34(2)29-25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28-32-36(37)38-33-35-30-26-24-27-31-35/h24,26-27,30-31,34H,3-23,25,28-29,32-33H2,1-2H3
InChIKey XECKKZZQPPUCAD-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 528.906 g/mol
SMILES c1(ccccc1)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C)=O
SPLASH splash10-052f-9400100000-c6761267f9bb9f02d9ad
Source of Spectrum CBD-18-SM12-12-7
Wiley ID 1865185