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2-Methylbenzyl alcohol
SpectraBase Compound ID Ku3gJd0tMxv
InChI InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
InChIKey XPNGNIFUDRPBFJ-UHFFFAOYSA-N
Mol Weight 122.17 g/mol
Molecular Formula C8H10O
Exact Mass 122.073165 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KGnXLqHPtr4
Name 2-Methylbenzyl alcohol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 89-95-2
Comments Saturated 2-methylbenzyl alcohol - 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 C8 H10 O
IUPAC Name (2-methylphenyl)methanol
InChI InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
InChIKey XPNGNIFUDRPBFJ-UHFFFAOYSA-N
KEGG Compound ID C07213
KEGG Pathways PATH: ko00622 Toluene and xylene degradation
PubChem Compound ID 6994
SMILES CC1=CC=CC=C1CO
Source File Reference bmse000515