| SpectraBase Spectrum ID |
5nXpU5g79fF |
| Name |
Isopimpinellin |
| CAS Registry Number |
482-27-9 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
246.052823417 u |
| Formula |
C13H10O5 |
| InChI |
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| InChIKey |
DFMAXQKDIGCMTL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
246.218 g/mol |
| Nominal Mass |
246 u |
| Quality |
992 |
| Retention Index |
1852 |
| SMILES |
C12=C(C(=C3C(=C2OC)C=CO3)OC)OC(C=C1)=O |
| SPLASH |
splash10-000t-5890000000-f11b6ad0d50881fd7c14 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5,8-Dimethoxypsoralen
7H-Furo[3,2-g][1]benzopyran-7-one,4,9-dimethoxy |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027597 |
