![N-[3-Nitrophenyl]-1-piperidincarbothioamide](/api/spectrum/HL5zVlXpaGm/structure.png?h=300&w=458 "N-[3-Nitrophenyl]-1-piperidincarbothioamide")
| SpectraBase Compound ID | IJ0OV8OZJCn |
|---|---|
| InChI | InChI=1S/C12H15N3O2S/c16-15(17)11-6-4-5-10(9-11)13-12(18)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,13,18) |
| InChIKey | GHAOZGOBAWGSEO-UHFFFAOYSA-N |
| Mol Weight | 265.33 g/mol |
| Molecular Formula | C12H15N3O2S |
| Exact Mass | 265.088498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HL5zVlXpaGm |
|---|---|
| Name | N-[3-Nitrophenyl]-1-piperidincarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.088497907 u |
| Formula | C12H15N3O2S |
| InChI | InChI=1S/C12H15N3O2S/c16-15(17)11-6-4-5-10(9-11)13-12(18)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,13,18) |
| InChIKey | GHAOZGOBAWGSEO-UHFFFAOYSA-N |
| Molecular Weight | 265.331 g/mol |
| SMILES | C1(=CC=CC(=C1)NC(N1CCCCC1)=S)N(=O)=O |