| SpectraBase Spectrum ID |
JI98oUziKUy |
| Name |
Khellin |
| CAS Registry Number |
82-02-0 |
| Classification |
Pharmaceutical drug, spasmolytic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
260.068473481 u |
| Formula |
C14H12O5 |
| InChI |
InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3 |
| InChIKey |
HSMPDPBYAYSOBC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
260.245 g/mol |
| Nominal Mass |
260 u |
| Quality |
994 |
| Retention Index |
1954 |
| SMILES |
C12=C(C(=C3C(=C2OC)OC=C3)OC)C(C=C(O1)C)=O |
| SPLASH |
splash10-02u1-3490000000-d67057564a103fbde2d1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Kellin
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001804 |
