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5,8,11-Heptadecatriynoic acid, methyl ester
SpectraBase Compound ID FI1LNkpDi3h
InChI InChI=1S/C18H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-6,9,12,15-17H2,1-2H3
InChIKey VDCFKSNWTRZOAQ-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIPYXCgk3Je
Name 5,8,11-Heptadecatriynoic acid, methyl ester
CAS Registry Number 56554-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-6,9,12,15-17H2,1-2H3
InChIKey VDCFKSNWTRZOAQ-UHFFFAOYSA-N
Molecular Weight 272.388 g/mol
SMILES C(#CCCCC(OC)=O)CC#CCC#CCCCCC
SPLASH splash10-002f-7900000000-66275b1ac79f8b9fd5d0
Source of Spectrum EP-4896-0-0
Synonyms Methyl 5,8,11-heptadecatriynoate Heptadeca-5,8,11-triynoic acid methyl ester Methyl heptadeca-5,8,11-triynoate
Wiley ID 1276549