| SpectraBase Spectrum ID |
2llSXndgQ5Y |
| Name |
Scoparone |
| CAS Registry Number |
120-08-1 |
| 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 © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.057908798 u |
| Formula |
C11H10O4 |
| InChI |
InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 |
| InChIKey |
GUAFOGOEJLSQBT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.197 g/mol |
| Nominal Mass |
206 u |
| Quality |
937 |
| Retention Index |
1528 |
| SMILES |
C1=2C(=CC(=C(C2)OC)OC)OC(C=C1)=O |
| SPLASH |
splash10-0a4i-5960000000-e9b65bd01fa231cf5d69 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6,7-Dimethoxy-2H-1-benzopyran-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022314 |
