| SpectraBase Spectrum ID |
87H9gJ0Rh0o |
| Name |
Resorcinol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
26982-54-7; 6025-45-2; 108-46-3 |
| ChEBI ID |
27810 |
| Comments |
100 mM Resorcinol - 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 |
C6 H6 O2 |
| IUPAC Name |
benzene-1,3-diol; resorcinol |
| InChI |
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H |
| InChIKey |
GHMLBKRAJCXXBS-UHFFFAOYSA-N |
| KEGG Compound ID |
C01751 |
| PubChem Compound ID |
5054 |
| SMILES |
C1=CC(=CC(=C1)O)O |
| Source File Reference |
bmse000415 |
