| SpectraBase Compound ID | 6yDOCFCA5f9 |
|---|---|
| InChI | InChI=1S/C16H15N3S/c1-11-7-6-10-14(12(11)2)19-15(17-18-16(19)20)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,18,20) |
| InChIKey | KLCVXJYTHLGMCP-UHFFFAOYSA-N |
| Mol Weight | 281.38 g/mol |
| Molecular Formula | C16H15N3S |
| Exact Mass | 281.098669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zuOMaM7Tfg |
|---|---|
| Name | 4-(2,3-Dimethylphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.098668669 u |
| Formula | C16H15N3S |
| InChI | InChI=1S/C16H15N3S/c1-11-7-6-10-14(12(11)2)19-15(17-18-16(19)20)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,18,20) |
| InChIKey | KLCVXJYTHLGMCP-UHFFFAOYSA-N |
| SMILES | C=1(N(C(NN1)=S)C=1C(=C(C)C=CC1)C)C1=CC=CC=C1 |