| SpectraBase Compound ID | YAWh2hu3o |
|---|---|
| InChI | InChI=1S/C16H15N3S/c20-16-18-17-15(11-13-7-3-1-4-8-13)19(16)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20) |
| InChIKey | ZHRFGHHXGMDPGA-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 | DNQeh8Cj9a4 |
|---|---|
| Name | 4H-1,2,4-Triazole-3-thiol, 4,5-bis(phenylmethyl)- |
| 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/c20-16-18-17-15(11-13-7-3-1-4-8-13)19(16)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20) |
| InChIKey | ZHRFGHHXGMDPGA-UHFFFAOYSA-N |
| Molecular Weight | 281.377 g/mol |
| SMILES | SC=1N(C(=NN1)CC1=CC=CC=C1)CC1=CC=CC=C1 |