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5,9-Hexacosadienoic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

5,9-Hexacosadienoic acid, methyl ester
SpectraBase Compound ID INANtegMAHk
InChI InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h18-19,22-23H,3-17,20-21,24-26H2,1-2H3/b19-18+,23-22+
InChIKey KUDNOVFCFRUERQ-ONFQLNJISA-N
Mol Weight 406.7 g/mol
Molecular Formula C27H50O2
Exact Mass 406.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbafP8KpLz9
Name 5,9-Hexacosadienoic acid, methyl ester
CAS Registry Number 89188-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O2
InChI InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h18-19,22-23H,3-17,20-21,24-26H2,1-2H3/b19-18+,23-22+
InChIKey KUDNOVFCFRUERQ-ONFQLNJISA-N
Molecular Weight 406.695 g/mol
SMILES C(CCC\C=C\CC\C=C\CCCCCCCCCCCCCCCC)(=O)OC
SPLASH splash10-014i-9200000000-df72969683cf343a2cc2
Source of Spectrum Y4-83-355-18
Synonyms (5E,9E)-hexacosa-5,9-dienoic acid methyl ester Methyl (5E,9E)-5,9-hexacosadienoate Methyl (5E,9E)-hexacosa-5,9-dienoate
Wiley ID 1550025