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5-oxo-1-cyclopentene-1-heptanoic acid, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

5-oxo-1-cyclopentene-1-heptanoic acid, methyl ester
SpectraBase Compound ID BdahOGurep7
InChI InChI=1S/C13H20O3/c1-16-13(15)10-5-3-2-4-7-11-8-6-9-12(11)14/h8H,2-7,9-10H2,1H3
InChIKey KDHIOWQSFJTRQG-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdfN4cl5U
Name 7-(5-ketocyclopenten-1-yl)enanthic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-16-13(15)10-5-3-2-4-7-11-8-6-9-12(11)14/h8H,2-7,9-10H2,1H3
InChIKey KDHIOWQSFJTRQG-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C=1(C(=O)CCC1)CCCCCCC(=O)OC
SPLASH splash10-00xr-0930000000-dd4e817c5d7e35204357
Source of Spectrum SO-0-1004-7
Synonyms 7-(5-oxo-1-cyclopentenyl)heptanoic acid methyl ester Methyl 7-(5-oxidanylidenecyclopenten-1-yl)heptanoate Methyl 7-(5-oxocyclopenten-1-yl)heptanoate
Wiley ID 1537591