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Pentacosane, 13-undecyl-
SpectraBase Compound ID Les0tNCT1sV
InChI InChI=1S/C36H74/c1-4-7-10-13-16-19-22-25-28-31-34-36(33-30-27-24-21-18-15-12-9-6-3)35-32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
InChIKey ZBOLLHDWYFHOST-UHFFFAOYSA-N
Mol Weight 507.0 g/mol
Molecular Formula C36H74
Exact Mass 506.579052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16SI6qfG4G
Name Pentacosane, 13-undecyl-
Alternate Name(s) 13-Undecylpentacosane 13-n-Undecylpentacosane 13-nor-undecylpentacosane
CAS Registry Number 55517-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H74
InChI InChI=1S/C36H74/c1-4-7-10-13-16-19-22-25-28-31-34-36(33-30-27-24-21-18-15-12-9-6-3)35-32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
InChIKey ZBOLLHDWYFHOST-UHFFFAOYSA-N
Molecular Weight 506.988 g/mol
SMILES CCCCCCCCCCCCC(CCCCCCCCCCCC)CCCCCCCCCCC
SPLASH splash10-0a4l-9000000000-6555ef1323c94b28ed27
Source of Spectrum JX-2015-6-3340
Wiley ID 1728540