| SpectraBase Spectrum ID |
DkjpAkcjIdE |
| Name |
Topiramate |
| CAS Registry Number |
97240-79-4 |
| Classification |
Pharmaceutical drug, antiepileptic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.098787806 u |
| Formula |
C12H21NO8S |
| InChI |
InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 |
| InChIKey |
KJADKKWYZYXHBB-XBWDGYHZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
339.359 g/mol |
| Nominal Mass |
339 u |
| Quality |
997 |
| Retention Index |
2602 |
| SMILES |
NS(OC[C@]12[C@]([C@]3([C@](OC(O3)(C)C)(CO1)[H])[H])(OC(O2)(C)C)[H])(=O)=O |
| SPLASH |
splash10-006x-9513000000-da1a54db3e3b0705c76d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,3:4,5-Di-o-iso-propylidene-beta-D-fructopyranose-sulfamate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004066 |
