| SpectraBase Compound ID | HPU5d3tfFKF |
|---|---|
| InChI | InChI=1S/C12H13ClN2O2S/c13-8-1-3-9(4-2-8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16) |
| InChIKey | PKOSTNQTHPKEQK-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 | ALiUor294Kb |
|---|---|
| Name | Acetamide, 2-(hexahydro-3-oxo-1,4-thiazin-2-yl)-N-(4-chlorophenyl)- |
| 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/c13-8-1-3-9(4-2-8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16) |
| InChIKey | PKOSTNQTHPKEQK-UHFFFAOYSA-N |
| SMILES | C1(C(CC(NC=2C=CC(=CC2)Cl)=O)SCCN1)=O |