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1-Cyclopentene-1-propanoic acid, 2-(2-octynyl)-3-oxo-, methyl ester
SpectraBase Compound ID 5LD0jGP1OY4
InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-9-15-14(10-12-16(15)18)11-13-17(19)20-2/h3-6,9-13H2,1-2H3
InChIKey PRIGSGSDTGWUAP-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cHaxnaCIbC
Name 1-Cyclopentene-1-propanoic acid, 2-(2-octynyl)-3-oxo-, methyl ester
Alternate Name(s) Methyl 3-(2-oct-2-ynyl-3-oxocyclopent-1-enyl)propionate Methyl 3-[2-(2-octynyl)-3-oxo-1-cyclopenten-1-yl]propanoate
CAS Registry Number 108546-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-9-15-14(10-12-16(15)18)11-13-17(19)20-2/h3-6,9-13H2,1-2H3
InChIKey PRIGSGSDTGWUAP-UHFFFAOYSA-N
Molecular Weight 276.376 g/mol
SMILES C1(=C(CCC1=O)CCC(=O)OC)CC#CCCCCC
SPLASH splash10-05fr-0590000000-76fa840e375302cceeab
Source of Spectrum KC-1988-1399-4
Wiley ID 1280360