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cis-1,2-Cyclohexanediol
SpectraBase Compound ID CqblrZWw50K
InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
InChIKey PFURGBBHAOXLIO-OLQVQODUSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AKoGbMso9P3
Name cis-1,2-Cyclohexanediol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 1792-81-0
ChEBI ID 32329
Comments 100 mM cis-1,2-cyclohexanediol - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6H12O2
IUPAC Name (1R,2S)-cyclohexane-1,2-diol
InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
InChIKey PFURGBBHAOXLIO-OLQVQODUSA-N
KEGG Compound ID C12313
KEGG Pathways PATH: ko00930 Caprolactam degradation
PubChem Compound ID 92903
SMILES C1CCC(C(C1)O)O; C1CC[C@@H]([C@@H](C1)O)O
Source File Reference bmse000469