| SpectraBase Compound ID | Jph3MDBxfkf |
|---|---|
| InChI | InChI=1S/C8H7ClN4S/c9-6-4-2-1-3-5(6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14) |
| InChIKey | LCHRECYVKFDKAP-UHFFFAOYSA-N |
| Mol Weight | 226.69 g/mol |
| Molecular Formula | C8H7ClN4S |
| Exact Mass | 226.007995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92PYkc4UpN9 |
|---|---|
| Name | 4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.007995115 u |
| Formula | C8H7ClN4S |
| InChI | InChI=1S/C8H7ClN4S/c9-6-4-2-1-3-5(6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14) |
| InChIKey | LCHRECYVKFDKAP-UHFFFAOYSA-N |
| SMILES | C=1(S)N(C(=NN1)C1=C(C=CC=C1)Cl)N |