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cis-13-Docosenoic acid, ethyl ester
SpectraBase Compound ID LL9HqO3NmHt
InChI InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKey WFZQLUSOXHIVKL-QXMHVHEDSA-N
Mol Weight 366.6 g/mol
Molecular Formula C24H46O2
Exact Mass 366.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IvQrBhjsKe
Name Eruic acid ethyl ester
CAS Registry Number 37910-77-3
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 366.349780719 u
Formula C24H46O2
InChI InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKey WFZQLUSOXHIVKL-QXMHVHEDSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 366.630 g/mol
Nominal Mass 366 u
Quality 875
Retention Index 2559
SMILES C(CCCCCCCCCCC\C=C/CCCCCCCC)(OCC)=O
SPLASH splash10-06ec-9200000000-decc12eb40f90fc16292
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ethyl 13-docosenoate(ethyl erucate) Ethyl (13Z)docos-13-enoate
Technique GC/MS
Wiley ID DD2024_013227