![1'-[3-[Trichloromethyl]-1,2,4-thiadiazol-5-yl]-1,4'-bipiperidine](/api/spectrum/6mlJPUyIbWM/structure.png?h=300&w=458 "1'-[3-[Trichloromethyl]-1,2,4-thiadiazol-5-yl]-1,4'-bipiperidine")
| SpectraBase Compound ID | 2uyBXoA2qy8 |
|---|---|
| InChI | InChI=1S/C13H19Cl3N4S/c14-13(15,16)11-17-12(21-18-11)20-8-4-10(5-9-20)19-6-2-1-3-7-19/h10H,1-9H2 |
| InChIKey | JXUIXMOJIXSJNN-UHFFFAOYSA-N |
| Mol Weight | 369.74 g/mol |
| Molecular Formula | C13H19Cl3N4S |
| Exact Mass | 368.039601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6mlJPUyIbWM |
|---|---|
| Name | 1'-[3-[Trichloromethyl]-1,2,4-thiadiazol-5-yl]-1,4'-bipiperidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.039600902 u |
| Formula | C13H19Cl3N4S |
| InChI | InChI=1S/C13H19Cl3N4S/c14-13(15,16)11-17-12(21-18-11)20-8-4-10(5-9-20)19-6-2-1-3-7-19/h10H,1-9H2 |
| InChIKey | JXUIXMOJIXSJNN-UHFFFAOYSA-N |
| Molecular Weight | 369.742 g/mol |
| SMILES | C=1(SN=C(N1)C(Cl)(Cl)Cl)N1CCC(N2CCCCC2)CC1 |