| SpectraBase Spectrum ID |
8I1u1pOvUnI |
| Name |
Tinidazole |
| CAS Registry Number |
19387-91-8 |
| Classification |
Pharmaceutical drug, antiprotozoal |
| 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 |
247.062677081 u |
| Formula |
C8H13N3O4S |
| InChI |
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3 |
| InChIKey |
HJLSLZFTEKNLFI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
247.269 g/mol |
| Nominal Mass |
247 u |
| Quality |
968 |
| Retention Index |
2024 |
| SMILES |
C=1(N(C(=NC1)C)CCS(CC)(=O)=O)[N+](=O)[O-] |
| SPLASH |
splash10-0udi-9550000000-f0095f3c48d3d6e8616b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Fasigyn
Simplotan
Symplotan
Tinidazol
Trimonase
1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004050 |
