| SpectraBase Compound ID | 8hbIX0Cmob8 |
|---|---|
| InChI | InChI=1S/C12H15ClN2S/c13-10-5-4-6-11(9-10)14-12(16)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,14,16) |
| InChIKey | FLSHFGAPXOJIMQ-UHFFFAOYSA-N |
| Mol Weight | 254.78 g/mol |
| Molecular Formula | C12H15ClN2S |
| Exact Mass | 254.064447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1nKPAoJnrS |
|---|---|
| Name | 3'-Chlorothio-1-piperidinecarboxanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.064447365 u |
| Formula | C12H15ClN2S |
| InChI | InChI=1S/C12H15ClN2S/c13-10-5-4-6-11(9-10)14-12(16)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,14,16) |
| InChIKey | FLSHFGAPXOJIMQ-UHFFFAOYSA-N |
| Molecular Weight | 254.779 g/mol |
| SMILES | N(C1=CC=CC(=C1)Cl)C(=S)N1CCCCC1 |