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trans-Nervonate <methyl->
SpectraBase Compound ID U6k0K35mm9
InChI InChI=1S/C25H48O2/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)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10+
InChIKey AINIZSBLAFHZCP-ZHACJKMWSA-N
Mol Weight 380.7 g/mol
Molecular Formula C25H48O2
Exact Mass 380.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Rl2HzVcTjv
Name 15-Tetracosenoic acid,methyl ester
CAS Registry Number 56554-33-7
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 380.365430784 u
Formula C25H48O2
InChI InChI=1S/C25H48O2/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)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10+
InChIKey AINIZSBLAFHZCP-ZHACJKMWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 380.657 g/mol
Nominal Mass 380 u
Quality 986
SMILES C(CCCCCCCCCCCCC\C=C\CCCCCCCC)(OC)=O
SPLASH splash10-0aou-9200000000-8cf8004128920fffdee7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyltetracos-15-enoate
Technique GC/MS
Wiley ID DD2024_034561