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3-methylpentyl behenate
SpectraBase Compound ID 7Ur9eixpTmA
InChI InChI=1S/C28H56O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)30-26-25-27(3)5-2/h27H,4-26H2,1-3H3
InChIKey JWEFLKCZLUHNNM-UHFFFAOYSA-N
Mol Weight 424.8 g/mol
Molecular Formula C28H56O2
Exact Mass 424.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaVHa3SN4Ak
Name 3-methylpentyl behenate
Appearance White waxy solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H56O2
InChI InChI=1S/C28H56O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)30-26-25-27(3)5-2/h27H,4-26H2,1-3H3
InChIKey JWEFLKCZLUHNNM-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N-Agilent Technologies 5975B
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.201900153
Molecular Weight 424.754 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCCC(OCCC(CC)C)=O
SPLASH splash10-0543-9000000000-cf15a4d01f46af73a2aa
Source of Spectrum CBD-16-SM12-1
Wiley ID 1838397