| SpectraBase Spectrum ID |
B1nx7ksACcC |
| Name |
Esculetin |
| CAS Registry Number |
305-01-1 |
| Classification |
Pharmaceutical drug, anticoagulant |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
194.021523288 u |
| Formula |
C9H6O5 |
| InChI |
InChI=1S/C9H6O5/c10-5-3-9(13)14-8-2-7(12)6(11)1-4(5)8/h1-3,10-12H |
| InChIKey |
FNYQCLTWIHHCQV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
194.142 g/mol |
| Nominal Mass |
194 u |
| Quality |
873 |
| Retention Index |
1434 |
| SMILES |
OC1=CC(OC=2C1=CC(=C(C2)O)O)=O |
| SPLASH |
splash10-0fb9-2900000000-2f5f2ad8caedc9bb4811 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cichorigenin
6,7-Dihydroxy-2-benzopyrone
Esculetol
6,7-Dihydroxycoumarin |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001329 |
