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5,9-Pentacosadienoic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

5,9-Pentacosadienoic acid, methyl ester
SpectraBase Compound ID IgbEhqc7Ord
InChI InChI=1S/C26H48O2/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)28-2/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3/b18-17+,22-21+
InChIKey BTRAXSNMQOEDFV-KEIUHOJNSA-N
Mol Weight 392.7 g/mol
Molecular Formula C26H48O2
Exact Mass 392.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKqHgNYMTOx
Name 5,9-Pentacosadienoic acid, methyl ester
Alternate Name(s) (5E,9E)-pentacosa-5,9-dienoic acid methyl ester Methyl (5E,9E)-5,9-pentacosadienoate Methyl (5E,9E)-pentacosa-5,9-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O2
InChI InChI=1S/C26H48O2/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)28-2/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3/b18-17+,22-21+
InChIKey BTRAXSNMQOEDFV-KEIUHOJNSA-N
Molecular Weight 392.668 g/mol
SMILES C(CCC\C=C\CC\C=C\CCCCCCCCCCCCCCC)(=O)OC
SPLASH splash10-0api-9400000000-85d4c865176e7d30998e
Source of Spectrum Y4-83-355-16
Wiley ID 1550027