| SpectraBase Spectrum ID |
JFN3O0dEG9I |
| Name |
Scopoletin |
| CAS Registry Number |
92-61-5 |
| Classification |
Tonka bean ingredient |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.042258734 u |
| Formula |
C10H8O4 |
| InChI |
InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| InChIKey |
RODXRVNMMDRFIK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.170 g/mol |
| Nominal Mass |
192 u |
| Quality |
941 |
| Retention Index |
1428 |
| SMILES |
OC1=C(C=C2C(=C1)OC(C=C2)=O)OC |
| SPLASH |
splash10-0006-2900000000-876b453fc7ba55d90ceb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one
7-Hydroxy-6-methoxy-2H-chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017073 |
