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Benzyl heptacosanoate

View entire compound with spectra: 1 MS (GC)

Benzyl heptacosanoate
SpectraBase Compound ID H6TUTgttSb5
InChI InChI=1S/C34H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34(35)36-32-33-29-26-25-27-30-33/h25-27,29-30H,2-24,28,31-32H2,1H3
InChIKey JRBSHYRTZXMQPX-UHFFFAOYSA-N
Mol Weight 500.9 g/mol
Molecular Formula C34H60O2
Exact Mass 500.459331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ScenRlX3RR
Name Benzyl heptacosanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H60O2
InChI InChI=1S/C34H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34(35)36-32-33-29-26-25-27-30-33/h25-27,29-30H,2-24,28,31-32H2,1H3
InChIKey JRBSHYRTZXMQPX-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 500.852 g/mol
SMILES c1(ccccc1)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9400000000-e27a4036cb8d750e474b
Source of Spectrum CBD-18-SM12-12-3
Wiley ID 1865183