| SpectraBase Spectrum ID |
1dqU1eL4Fbw |
| Name |
Guaiacol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
26638-03-9; 90-05-1 |
| ChEBI ID |
28591 |
| Comments |
100 mM Guaiacol - 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 |
C7 H8 O2 |
| IUPAC Name |
2-methoxyphenol |
| InChI |
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
| InChIKey |
LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| KEGG Compound ID |
C01502 |
| PubChem Compound ID |
460 |
| SMILES |
COC1=CC=CC=C1O |
| Source File Reference |
bmse000436 |
