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Benzyl 30-methylhentriacontanoate
SpectraBase Compound ID ABJefBX3yOc
InChI InChI=1S/C39H70O2/c1-37(2)32-28-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-31-35-39(40)41-36-38-33-29-27-30-34-38/h27,29-30,33-34,37H,3-26,28,31-32,35-36H2,1-2H3
InChIKey IEZOHVDEPYCVDD-UHFFFAOYSA-N
Mol Weight 571.0 g/mol
Molecular Formula C39H70O2
Exact Mass 570.537581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CqYLMaq4O
Name Benzyl 30-methylhentriacontanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H70O2
InChI InChI=1S/C39H70O2/c1-37(2)32-28-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-31-35-39(40)41-36-38-33-29-27-30-34-38/h27,29-30,33-34,37H,3-26,28,31-32,35-36H2,1-2H3
InChIKey IEZOHVDEPYCVDD-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 570.987 g/mol
SMILES c1(ccccc1)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C)=O
SPLASH splash10-052f-9400100000-3a9a6f43524541c56914
Source of Spectrum CBD-18-SM13-13-4
Wiley ID 1865191