| SpectraBase Spectrum ID |
JI0gHrpwtfs |
| Name |
Riluzole |
| CAS Registry Number |
1744-22-5 |
| Classification |
Therapy of amyotrophic lateral sclerosis(ALS) |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
234.007468451 u |
| Formula |
C8H5F3N2OS |
| InChI |
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13) |
| InChIKey |
FTALBRSUTCGOEG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.196 g/mol |
| Nominal Mass |
234 u |
| Quality |
897 |
| Retention Index |
1593 |
| SMILES |
NC=1SC2=C(N1)C=CC(=C2)OC(F)(F)F |
| SPLASH |
splash10-0159-6940000000-90e73daed97087a65f57 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Rilutek
6-(Trifluoromethoxy)benzothiazol-2-ylamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007779 |
