| SpectraBase Compound ID | HjtPr3o2hf |
|---|---|
| InChI | InChI=1S/C13H16ClN3OS/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,18,19) |
| InChIKey | BZWVBXXQBCZXJT-UHFFFAOYSA-N |
| Mol Weight | 297.8 g/mol |
| Molecular Formula | C13H16ClN3OS |
| Exact Mass | 297.070261 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiUr5762eht |
|---|---|
| Name | 2-Chloro-N-(4-methyl-piperazine-1-carbothioyl)-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.070261020 u |
| Formula | C13H16ClN3OS |
| InChI | InChI=1S/C13H16ClN3OS/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,18,19) |
| InChIKey | BZWVBXXQBCZXJT-UHFFFAOYSA-N |
| Molecular Weight | 297.804 g/mol |
| SMILES | C1=CC=C(C(=C1)Cl)C(NC(N1CCN(C)CC1)=S)=O |