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Benzyl 25-methylheptacosanoate
SpectraBase Compound ID LgzsDBCpYVV
InChI InChI=1S/C35H62O2/c1-3-33(2)28-24-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-27-31-35(36)37-32-34-29-25-23-26-30-34/h23,25-26,29-30,33H,3-22,24,27-28,31-32H2,1-2H3
InChIKey KWEYYMXYMPUCIX-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 CbUouATMixj
Name Benzyl 25-methylheptacosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H62O2
InChI InChI=1S/C35H62O2/c1-3-33(2)28-24-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-27-31-35(36)37-32-34-29-25-23-26-30-34/h23,25-26,29-30,33H,3-22,24,27-28,31-32H2,1-2H3
InChIKey KWEYYMXYMPUCIX-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(CCCCCCCCCCCCCCCCCCCCCCCC(CC)C)=O
SPLASH splash10-0a4i-9000000000-05da27ebe32683ea7b6a
Source of Spectrum CBD-18-SM12-12-5
Wiley ID 1865184