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4-Methyl-benzylalcohol
SpectraBase Compound ID LevpWj3suuV
InChI InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey KMTDMTZBNYGUNX-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 5NKyuODUrFw
Name 4-Methylbenzyl alcohol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 185532-77-8; 589-18-4
ChEBI ID 1895
Comments Saturated 4-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 (4-methylphenyl)methanol
InChI InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey KMTDMTZBNYGUNX-UHFFFAOYSA-N
KEGG Compound ID C06757
KEGG Pathways PATH: ko00622 Toluene and xylene degradation
PubChem Compound ID 11505
SMILES CC1=CC=C(C=C1)CO
Source File Reference bmse000520