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4-Carboxycyclohexanone

View entire compound with spectra: 1 MS (GC)

4-Carboxycyclohexanone
SpectraBase Compound ID YYivPPxo4W
InChI InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)
InChIKey OWLXUYGCLDGHJJ-UHFFFAOYSA-N
Mol Weight 142.15 g/mol
Molecular Formula C7H10O3
Exact Mass 142.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Suq7St6Jc
Name 4-Carboxycyclohexanone
CAS Registry Number 874-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O3
InChI InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)
InChIKey OWLXUYGCLDGHJJ-UHFFFAOYSA-N
Molecular Weight 142.154 g/mol
SMILES OC(C1CCC(CC1)=O)=O
SPLASH splash10-0006-9000000000-166c091ad3d567b224d6
Source of Spectrum EK-1999-638-0
Synonyms 4-ketocyclohexanecarboxylic acid 4-Oxidanylidenecyclohexane-1-carboxylic acid 4-Oxo-1-cyclohexanecarboxylic acid 4-Oxocyclohexane-1-carboxylic acid 4-Oxocyclohexanecarboxylic acid
Wiley ID 1140831