| SpectraBase Compound ID | HOXbPPR36a5 |
|---|---|
| InChI | InChI=1S/C15H10F3NS2/c16-15(17,18)11-6-7-12-13(8-11)21-14(19-12)20-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChIKey | OWZMORIJEFYIDV-UHFFFAOYSA-N |
| Mol Weight | 325.37 g/mol |
| Molecular Formula | C15H10F3NS2 |
| Exact Mass | 325.020676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1ZY5fB9Y2L2 |
|---|---|
| Name | 2-(Benzylsulphanyl)-6-trifluoromethyl-1,3-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.020676163 u |
| Formula | C15H10F3NS2 |
| InChI | InChI=1S/C15H10F3NS2/c16-15(17,18)11-6-7-12-13(8-11)21-14(19-12)20-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChIKey | OWZMORIJEFYIDV-UHFFFAOYSA-N |
| Molecular Weight | 325.367 g/mol |
| SMILES | C1=C(C=C2C(=C1)N=C(SCC1=CC=CC=C1)S2)C(F)(F)F |