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Cyclohexanecarboxylic acid, 2-oxocyclohexyl ester
SpectraBase Compound ID F80u05TNncN
InChI InChI=1S/C13H20O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h10,12H,1-9H2
InChIKey LRCHNMTYHHXXMY-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 HNo2mgBKCCl
Name Cyclohexanecarboxylic acid, 2-oxocyclohexyl ester
Alternate Name(s) .alpha.-(cyclohexanoyloxy)cyclohexanone 2-Oxocyclohexyl cyclohexanecarboxylate
CAS Registry Number 66049-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h10,12H,1-9H2
InChIKey LRCHNMTYHHXXMY-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C(OC1C(=O)CCCC1)(=O)C1CCCCC1
SPLASH splash10-01q9-9500000000-dfc65f6c163909eb1c38
Source of Spectrum KC-1977-17-1895
Wiley ID 1225242