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Cyclohexane-carboxylic Acid
SpectraBase Compound ID KdbMGQy4SYg
InChI InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8CcN6jwcaIP
Name Cyclohexanecarboxylic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 98-89-5; 25666-60-8; 7549-42-0
ChEBI ID 36096
Comments Saturated cyclohexanecarboxylic acid - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C7 H12 O2
IUPAC Name cyclohexanecarboxylic acid
InChI InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N
KEGG Compound ID C09822
KEGG Pathways PATH: ko00632 Benzoate degradation via CoA ligation
PubChem Compound ID 7413
SMILES C1CCC(CC1)C(=O)O
Source File Reference bmse000546