| SpectraBase Spectrum ID |
2oncG8EcTOC |
| Name |
1,2,3-Benzenetriol |
| CAS Registry Number |
87-66-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
126.031694050 u |
| Formula |
C6H6O3 |
| InChI |
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H |
| InChIKey |
WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
126.111 g/mol |
| Nominal Mass |
126 u |
| Quality |
903 |
| Retention Index |
911 |
| SMILES |
OC1=CC=CC(=C1O)O |
| SPLASH |
splash10-0fb9-9800000000-6f5285ab3abb13046218 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pyrogallol
benzene-1,2,3-triol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019223 |
