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METHYL-OCTADECA-trans,9-ENE,-12-YNOATE
SpectraBase Compound ID 7KHltojF1bM
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-6,9,12-18H2,1-2H3/b11-10+
InChIKey PBUBQZYMYOKABE-ZHACJKMWSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeQBx8QqGkz
Name 9-Octadecen-12-ynoic acid, methyl ester
Alternate Name(s) Methyl (9E)-9-octadecen-12-ynoate (E)-octadec-9-en-12-ynoic acid methyl ester Methyl (E)-octadec-9-en-12-ynoate
CAS Registry Number 56847-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-6,9,12-18H2,1-2H3/b11-10+
InChIKey PBUBQZYMYOKABE-ZHACJKMWSA-N
Molecular Weight 292.463 g/mol
SMILES CCCCCC#CC\C=C\CCCCCCCC(=O)OC
SPLASH splash10-0006-9100000000-f0927c1b90d9575108e1
Source of Spectrum EP-4891-0-0
Wiley ID 1295866