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7-(2-octyl-5-oxo-1-cyclopentenyl)heptanoic acid methyl ester

View entire compound with spectra: 2 MS (GC)

7-(2-octyl-5-oxo-1-cyclopentenyl)heptanoic acid methyl ester
SpectraBase Compound ID JFgWaqIOttq
InChI InChI=1S/C21H36O3/c1-3-4-5-6-7-10-13-18-16-17-20(22)19(18)14-11-8-9-12-15-21(23)24-2/h3-17H2,1-2H3
InChIKey JQORTRZRABTJFP-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9USry1LFlFU
Name 7-(2-octyl-5-oxo-1-cyclopentenyl)heptanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-3-4-5-6-7-10-13-18-16-17-20(22)19(18)14-11-8-9-12-15-21(23)24-2/h3-17H2,1-2H3
InChIKey JQORTRZRABTJFP-UHFFFAOYSA-N
Molecular Weight 336.516 g/mol
SMILES C1(=C(CCC1=O)CCCCCCCC)CCCCCCC(=O)OC
SPLASH splash10-02fx-9831000000-e71c8fb7ef5a84869710
Source of Spectrum S-17-814-2
Synonyms 7-(5-keto-2-octyl-cyclopenten-1-yl)enanthic acid methyl ester Methyl 7-(2-octyl-5-oxidanylidene-cyclopenten-1-yl)heptanoate Methyl 7-(2-octyl-5-oxo-cyclopenten-1-yl)heptanoate
Wiley ID 1332705