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benzyl 26-methylheptacosanoate
SpectraBase Compound ID LEJpNPJ3eD6
InChI InChI=1S/C35H62O2/c1-33(2)28-24-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27-31-35(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 NIPFNBDTGVZHAR-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 3IQrBpEFvrk
Name benzyl 26-methylheptacosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H62O2
InChI InChI=1S/C35H62O2/c1-33(2)28-24-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27-31-35(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 NIPFNBDTGVZHAR-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(CCCCCCCCCCCCCCCCCCCCCCCCC(C)C)=O
SPLASH splash10-052f-9200000000-a417709a722d5f9c27dd
Source of Spectrum CBD-18-SM21-Figure S9-6
Wiley ID 1865232