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(+/-)-Hexyl 2-oxocyclopentanecarboxylate

View entire compound with spectra: 2 MS (GC)

(+/-)-Hexyl 2-oxocyclopentanecarboxylate
SpectraBase Compound ID 4OaZpA2rrNC
InChI InChI=1S/C12H20O3/c1-2-3-4-5-9-15-12(14)10-7-6-8-11(10)13/h10H,2-9H2,1H3
InChIKey NNQVRTQWNFNRND-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID R6W00UwFXt
Name (+/-)-Hexyl 2-oxocyclopentanecarboxylate
Classification 1,3-dicarbonyl compounds
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-2-3-4-5-9-15-12(14)10-7-6-8-11(10)13/h10H,2-9H2,1H3
InChIKey NNQVRTQWNFNRND-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
Number of Peaks 23
SMILES C1(C(CCC1)=O)C(=O)OCCCCCC
SPLASH splash10-03dl-7900000000-a882350d5345daa364e1
Source of Spectrum FF-29-81-33 (DOI: 10.1002/ffj.3182)
Synonyms Hexyl 2-oxocyclopentanecarboxylate 2-Oxo-1-cyclopentanecarboxylic acid hexyl ester Hexyl 2-oxocyclopentane-1-carboxylate Hexyl 2-oxidanylidenecyclopentane-1-carboxylate
Wiley ID 1775672