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Cyclohexanecarboxylic acid, 3-oxo-1-cyclohexen-1-yl ester
SpectraBase Compound ID 6mCW8DtDBby
InChI InChI=1S/C13H18O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h9-10H,1-8H2
InChIKey MIENDYAAHSVRNA-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyeTMachXNh
Name Cyclohexanecarboxylic acid, 3-oxo-1-cyclohexen-1-yl ester
Alternate Name(s) (3-oxidanylidenecyclohexen-1-yl) cyclohexanecarboxylate (3-oxocyclohexen-1-yl) cyclohexanecarboxylate cyclohexanecarboxylic acid (3-ketocyclohexen-1-yl) ester cyclohexanecarboxylic acid (3-oxo-1-cyclohexenyl) ester
CAS Registry Number 66049-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h9-10H,1-8H2
InChIKey MIENDYAAHSVRNA-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(OC1=CC(=O)CCC1)(=O)C1CCCCC1
SPLASH splash10-06si-9200000000-647d32bd3be8c8d6a5f9
Source of Spectrum KC-1977-17-1895
Wiley ID 1222532