| SpectraBase Compound ID | IWqxn10rmwQ |
|---|---|
| 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 |
| Mol Weight | 321.82 g/mol |
| Molecular Formula | C16H16ClNO2S |
| Exact Mass | 321.059028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MsgyUmDbzL |
|---|---|
| Name | Clopidogrel P1037 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. 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 |
| Molecular Weight | 321.822 g/mol |
| SMILES | C=1C=CC(C(N2CC=3C=CSC3CC2)C(=O)OC)=C(Cl)C1 |