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5-Methylhex-4-enyl (Z)-9-octadecenoate
SpectraBase Compound ID DE2fjFedEwK
InChI InChI=1S/C25H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(26)27-23-20-19-21-24(2)3/h11-12,21H,4-10,13-20,22-23H2,1-3H3/b12-11-
InChIKey OWSHNTMCFQSDAW-QXMHVHEDSA-N
Mol Weight 378.6 g/mol
Molecular Formula C25H46O2
Exact Mass 378.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qda7wYbw9b
Name 5-Methylhex-4-enyl (Z)-9-octadecenoate
Alternate Name(s) 5-methyl-4-hexenyl (Z)-9-octadecenoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H46O2
InChI InChI=1S/C25H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(26)27-23-20-19-21-24(2)3/h11-12,21H,4-10,13-20,22-23H2,1-3H3/b12-11-
InChIKey OWSHNTMCFQSDAW-QXMHVHEDSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202100372
Molecular Weight 378.641 g/mol
Reported Formula C25H46O2
SMILES C(CCC(=O)OCCCC=C(C)C)CCCC\C=C/CCCCCCCC
SPLASH splash10-0002-9000000000-daef718146a05295757e
Source of Spectrum CBC-22-SM57-22k
Wiley ID 1865305