| SpectraBase Compound ID | KsEbTuTGdeE |
|---|---|
| InChI | InChI=1S/C14H9Cl2N3S/c15-10-3-1-9(2-4-10)13-17-18-14(20)19(13)12-7-5-11(16)6-8-12/h1-8H,(H,18,20) |
| InChIKey | SRHQEOHMRBILGI-UHFFFAOYSA-N |
| Mol Weight | 322.21 g/mol |
| Molecular Formula | C14H9Cl2N3S |
| Exact Mass | 320.989424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 392UyoLgThE |
|---|---|
| Name | 4,5-bis(4-Chlorophenyl)-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 | 320.989423876 u |
| Formula | C14H9Cl2N3S |
| InChI | InChI=1S/C14H9Cl2N3S/c15-10-3-1-9(2-4-10)13-17-18-14(20)19(13)12-7-5-11(16)6-8-12/h1-8H,(H,18,20) |
| InChIKey | SRHQEOHMRBILGI-UHFFFAOYSA-N |
| SMILES | SC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl |