| SpectraBase Compound ID | GY8FhJQ3lQi |
|---|---|
| InChI | InChI=1S/C12H13ClN2O2S/c13-8-2-1-3-9(6-8)15-11(16)7-10-12(17)14-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16) |
| InChIKey | NOVSTNSQVOXPFL-UHFFFAOYSA-N |
| Mol Weight | 284.76 g/mol |
| Molecular Formula | C12H13ClN2O2S |
| Exact Mass | 284.038627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Yh4oYTtW07 |
|---|---|
| Name | 2H-1,4-Thiazine-2-acetamide, N-(3-chlorophenyl)tetrahydro-3-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.038626539 u |
| Formula | C12H13ClN2O2S |
| InChI | InChI=1S/C12H13ClN2O2S/c13-8-2-1-3-9(6-8)15-11(16)7-10-12(17)14-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16) |
| InChIKey | NOVSTNSQVOXPFL-UHFFFAOYSA-N |
| SMILES | C1(C(CC(NC2=CC=CC(=C2)Cl)=O)SCCN1)=O |