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6,9-Octadecadiynoic acid, methyl ester
SpectraBase Compound ID L1wtFJSmiwu
InChI InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-9,12,15-18H2,1-2H3
InChIKey LKHNXBFRIJOJJG-UHFFFAOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJhB7Zbwi4s
Name 6,9-Octadecadiynoic acid, methyl ester
Alternate Name(s) Methyl 6,9-octadecadiynoate Methyl octadeca-6,9-diynoate Octadeca-6,9-diynoic acid methyl ester
CAS Registry Number 56847-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-9,12,15-18H2,1-2H3
InChIKey LKHNXBFRIJOJJG-UHFFFAOYSA-N
Molecular Weight 290.447 g/mol
SMILES C(#CCC#CCCCCCCCC)CCCCC(OC)=O
SPLASH splash10-054o-9600000000-f6702d5a6860d23871c4
Source of Spectrum EP-4887-0-0
Wiley ID 1293971