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Benzyl nonacosanoate

View entire compound with spectra: 1 MS (GC)

Benzyl nonacosanoate
SpectraBase Compound ID H6m18bDEsy4
InChI InChI=1S/C36H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-33-36(37)38-34-35-31-28-27-29-32-35/h27-29,31-32H,2-26,30,33-34H2,1H3
InChIKey CTGKQRAKQRMVJX-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 4yK06bK9tzy
Name Benzyl nonacosanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H64O2
InChI InChI=1S/C36H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-33-36(37)38-34-35-31-28-27-29-32-35/h27-29,31-32H,2-26,30,33-34H2,1H3
InChIKey CTGKQRAKQRMVJX-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(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9400000000-ada568b698e882a26a2c
Source of Spectrum CBD-18-SM12-12-9
Wiley ID 1865187