| SpectraBase Spectrum ID |
8JIQRcPlubI |
| Name |
Polythiazide-A (-C3H1F3S) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.995775922 u |
| Formula |
C8H12ClN3O4S2 |
| InChI |
InChI=1S/C8H12ClN3O4S2/c1-12(2)18(15,16)8-4-7(17(11,13)14)5(9)3-6(8)10/h3-4H,10H2,1-2H3,(H2,11,13,14) |
| InChIKey |
ZAWDQQUDTMBWOC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.774 g/mol |
| Nominal Mass |
313 u |
| Quality |
980 |
| Retention Index |
2272 |
| SMILES |
NS(C=1C=C(C(=CC1Cl)N)S(N(C)C)(=O)=O)(=O)=O |
| SPLASH |
splash10-03dm-5920000000-5986ccf8e14e96e5aad8 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-amino-6-chloro-N3,N3-dimethylbenzene-1,3-disulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011103 |
