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P-cresol

View entire compound with spectra: 110 NMR, 17 FTIR, 37 MS (GC), and 2 Near IR

P-cresol
SpectraBase Compound ID GdL6yfW8Yo5
InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey IWDCLRJOBJJRNH-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 DGdRvWvS8Ed
Name p-Cresol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 106-44-5
ChEBI ID 17847
Comments 100 mM p-Cresol - Sigma-Aldrich; Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K; Data source: Madison Metabolomics Consortium
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C7H8O
IUPAC Name 4-methylphenol
InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey IWDCLRJOBJJRNH-UHFFFAOYSA-N
KEGG Compound ID C01468
KEGG Pathways PATH: ko00622 Toluene and xylene degradation PATH: ko00633 Trinitrotoluene degradation
PubChem Compound ID 2879
SMILES CC1=CC=C(C=C1)O
Source File Reference bmse000458