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M-cresol
SpectraBase Compound ID 8gqwg05DjpU
InChI InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey RLSSMJSEOOYNOY-UHFFFAOYSA-N
Mol Weight 108.14 g/mol
Molecular Formula C7H8O
Exact Mass 108.057515 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GEcAXDanBxN
Name m-Cresol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 108-39-4
ChEBI ID 17231
Comments 100 mM m-Cresol - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C7H8O
IUPAC Name 3-methylphenol
InChI InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey RLSSMJSEOOYNOY-UHFFFAOYSA-N
KEGG Compound ID C01467
KEGG Pathways PATH: ko00622 Toluene and xylene degradation
PubChem Compound ID 342
SMILES CC1=CC(=CC=C1)O
Source File Reference bmse000350