| SpectraBase Spectrum ID |
DoLMX0hDCYC |
| Name |
4-Ethylcatechol |
| CAS Registry Number |
1124-39-6 |
| Classification |
Chemical, bad flavor in wine |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
138.068079560 u |
| Formula |
C8H10O2 |
| InChI |
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3 |
| InChIKey |
HFLGBNBLMBSXEM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
138.166 g/mol |
| Nominal Mass |
138 u |
| Quality |
988 |
| Retention Index |
1003 |
| SMILES |
OC1=C(C=CC(=C1)CC)O |
| SPLASH |
splash10-00di-6900000000-e5954945669438380bdd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dihydroxyethylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014854 |
