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O-cresol
SpectraBase Compound ID DoxbjHup7Rn
InChI InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey QWVGKYWNOKOFNN-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 FLxJQWeMfDO
Name o-Cresol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 95-48-7
ChEBI ID 28054
Comments 100 mM o-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 2-methylphenol
InChI InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey QWVGKYWNOKOFNN-UHFFFAOYSA-N
KEGG Compound ID C01542
KEGG Pathways PATH: ko00622 Toluene and xylene degradation
PubChem Compound ID 335
SMILES CC1=CC=CC=C1O
Source File Reference bmse000433