| SpectraBase Compound ID | 7tck66AuuEW |
|---|---|
| InChI | InChI=1S/C8H5Cl2N3S/c9-4-1-2-5(6(10)3-4)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14) |
| InChIKey | BZLULSOSPSQTAL-UHFFFAOYSA-N |
| Mol Weight | 246.12 g/mol |
| Molecular Formula | C8H5Cl2N3S |
| Exact Mass | 244.958124 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 | Fhm1UUVnH4H |
|---|---|
| Name | 5-(2,4-Dichlorophenyl)-4H-1,2,4-triazole-3-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.958123747 u |
| Formula | C8H5Cl2N3S |
| InChI | InChI=1S/C8H5Cl2N3S/c9-4-1-2-5(6(10)3-4)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14) |
| InChIKey | BZLULSOSPSQTAL-UHFFFAOYSA-N |
| SMILES | SC1=NN=C(N1)C=1C=CC(=CC1Cl)Cl |