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benzyl 28-methylnonacosanoate
SpectraBase Compound ID 39Yos0rVJ9M
InChI InChI=1S/C37H66O2/c1-35(2)30-26-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-29-33-37(38)39-34-36-31-27-25-28-32-36/h25,27-28,31-32,35H,3-24,26,29-30,33-34H2,1-2H3
InChIKey HBOJNSSWLARNIR-UHFFFAOYSA-N
Mol Weight 542.9 g/mol
Molecular Formula C37H66O2
Exact Mass 542.506281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIPraaadezN
Name benzyl 28-methylnonacosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H66O2
InChI InChI=1S/C37H66O2/c1-35(2)30-26-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-29-33-37(38)39-34-36-31-27-25-28-32-36/h25,27-28,31-32,35H,3-24,26,29-30,33-34H2,1-2H3
InChIKey HBOJNSSWLARNIR-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 542.933 g/mol
SMILES c1(ccccc1)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C)=O
SPLASH splash10-052f-9500000000-fa9e11d07e0cff58df3a
Source of Spectrum CBD-18-SM22-Figure S9-8
Wiley ID 1865234