| SpectraBase Compound ID | 1WSOMPJ1AEB |
|---|---|
| InChI | InChI=1S/C14H9ClFN3S/c15-12-4-2-1-3-11(12)13-18-19-14(20-13)17-10-7-5-9(16)6-8-10/h1-8H,(H,17,19) |
| InChIKey | BDOIVUKRGABPAH-UHFFFAOYSA-N |
| Mol Weight | 305.76 g/mol |
| Molecular Formula | C14H9ClFN3S |
| Exact Mass | 305.018974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ALTyNp5k3Ru |
|---|---|
| Name | 5-(2-Chlorophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.018974339 u |
| Formula | C14H9ClFN3S |
| InChI | InChI=1S/C14H9ClFN3S/c15-12-4-2-1-3-11(12)13-18-19-14(20-13)17-10-7-5-9(16)6-8-10/h1-8H,(H,17,19) |
| InChIKey | BDOIVUKRGABPAH-UHFFFAOYSA-N |
| Molecular Weight | 305.758 g/mol |
| SMILES | C=1(SC(NC2=CC=C(C=C2)F)=NN1)C1=C(Cl)C=CC=C1 |