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2,5-Octadecadiynoic acid, methyl ester
SpectraBase Compound ID BKtqnvbkIiK
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/h3-13,16H2,1-2H3
InChIKey XQDLQQYTXOVDQQ-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 3Rz9H6bL1sD
Name 2,5-Octadecadiynoic acid, methyl ester
Alternate Name(s) Methyl 2,5-octadecadiynoate Methyl octadeca-2,5-diynoate Octadeca-2,5-diynoic acid methyl ester
CAS Registry Number 57156-91-9
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/h3-13,16H2,1-2H3
InChIKey XQDLQQYTXOVDQQ-UHFFFAOYSA-N
Molecular Weight 290.447 g/mol
SMILES C(CCCCCCCCCCCC)#CCC#CC(OC)=O
SPLASH splash10-052f-9600000000-005904e9521b580c7522
Source of Spectrum EP-4814-0-0
Wiley ID 1293967