For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 6-bromo-5,9-heneicosadienoate

View entire compound with spectra: 1 MS (GC)

Methyl 6-bromo-5,9-heneicosadienoate
SpectraBase Compound ID KKFNgGIrKUc
InChI InChI=1S/C22H39BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25-2/h13-14,19H,3-12,15-18,20H2,1-2H3/b14-13+,21-19-
InChIKey ZYUBNBOBEVIJTQ-JESFMSRLSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H39BrO2
Exact Mass 414.213343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LS008hEl84l
Name Methyl 6-bromo-5,9-heneicosadienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39BrO2
InChI InChI=1S/C22H39BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25-2/h13-14,19H,3-12,15-18,20H2,1-2H3/b14-13+,21-19-
InChIKey ZYUBNBOBEVIJTQ-JESFMSRLSA-N
Molecular Weight 415.456 g/mol
SMILES C(CCC\C=C\(CC\C=C\CCCCCCCCCCC)Br)(=O)OC
SPLASH splash10-0a4i-9600000000-16b362b7e674df88b955
Source of Spectrum X2-57-1694-0
Synonyms Methyl (5Z,9E)-6-bromo-5,9-henicosadienoate
Wiley ID 1605779