| SpectraBase Spectrum ID |
Dm2fD04bdEe |
| Name |
Torasemide-A III |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
287.072847843 u |
| Formula |
C14H13N3O2S |
| InChI |
InChI=1S/C14H13N3O2S/c1-11-9-16-20(18,19)14-10-15-8-7-13(14)17(11)12-5-3-2-4-6-12/h2-10,16H,1H3 |
| InChIKey |
DDMBBKOCVTZMKF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
287.337 g/mol |
| Nominal Mass |
287 u |
| Quality |
916 |
| Retention Index |
2347 |
| SMILES |
C=12S(NC=C(N(C2=CC=NC1)C1=CC=CC=C1)C)(=O)=O |
| SPLASH |
splash10-001j-3940000000-7e472667f166b4fc3417 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(3-Methylphenyl)-4-pyridinamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006169 |
