| SpectraBase Spectrum ID |
2oIbcWzQ1zs |
| Name |
Clopidogrel |
| CAS Registry Number |
113665-84-2 |
| Classification |
Pharmaceutical drug, antithrombotic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
321.059027631 u |
| Formula |
C16H16ClNO2S |
| InChI |
InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3 |
| InChIKey |
GKTWGGQPFAXNFI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
321.822 g/mol |
| Nominal Mass |
321 u |
| Quality |
999 |
| Retention Index |
2367 |
| SMILES |
C(N1CC2=C(CC1)SC=C2)(C1=C(C=CC=C1)Cl)C(OC)=O |
| SPLASH |
splash10-03di-2790000000-df0c334e0b71dbeeaa6a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl(S)-alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H) acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026624 |
