SpectraBase Spectrum ID |
DlfBeFPYekS |
Name |
Resorcinol |
CAS Registry Number |
108-46-3 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
110.036779431 u |
Formula |
C6H6O2 |
InChI |
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H |
InChIKey |
GHMLBKRAJCXXBS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
110.112 g/mol |
Nominal Mass |
110 u |
Quality |
913 |
Retention Index |
802 |
SMILES |
OC=1C=C(C=CC1)O |
SPLASH |
splash10-03di-9400000000-5370567d615759b0b865 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1,3-Benzenediol
benzene-1,3-diol |
Technique |
GC/MS |
Wiley ID |
DD2024_032294 |