| SpectraBase Compound ID | K9W5fGDbzrI |
|---|---|
| InChI | InChI=1S/C9H6F3N3S/c10-9(11,12)7-14-15-8(16-7)13-6-4-2-1-3-5-6/h1-5H,(H,13,15) |
| InChIKey | FDRYCZHOKBVPGZ-UHFFFAOYSA-N |
| Mol Weight | 245.22 g/mol |
| Molecular Formula | C9H6F3N3S |
| Exact Mass | 245.023453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YYtNz6eYHS |
|---|---|
| Name | N-Phenyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.023452868 u |
| Formula | C9H6F3N3S |
| InChI | InChI=1S/C9H6F3N3S/c10-9(11,12)7-14-15-8(16-7)13-6-4-2-1-3-5-6/h1-5H,(H,13,15) |
| InChIKey | FDRYCZHOKBVPGZ-UHFFFAOYSA-N |
| Molecular Weight | 245.223 g/mol |
| SMILES | N(C=1SC(=NN1)C(F)(F)F)C1=CC=CC=C1 |