| SpectraBase Compound ID | 1f74z9tIiNi |
|---|---|
| InChI | InChI=1S/C12H8ClN3OS3/c13-7-1-2-9-8(5-7)15-12(20-9)19-6-10(17)16-11-14-3-4-18-11/h1-5H,6H2,(H,14,16,17) |
| InChIKey | OVPDLJQEIRBBBZ-UHFFFAOYSA-N |
| Mol Weight | 341.85 g/mol |
| Molecular Formula | C12H8ClN3OS3 |
| Exact Mass | 340.951803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzShVCAGBGA |
|---|---|
| Name | 2-(5-Chloro-benzothiazol-2-ylsulfanyl)-N-thiazol-2-yl-acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.951803111 u |
| Formula | C12H8ClN3OS3 |
| InChI | InChI=1S/C12H8ClN3OS3/c13-7-1-2-9-8(5-7)15-12(20-9)19-6-10(17)16-11-14-3-4-18-11/h1-5H,6H2,(H,14,16,17) |
| InChIKey | OVPDLJQEIRBBBZ-UHFFFAOYSA-N |
| Molecular Weight | 341.849 g/mol |
| SMILES | C1(=NC=2C=C(C=CC2S1)Cl)SCC(NC1=NC=CS1)=O |