| SpectraBase Compound ID | 1XO9zCdIPG3 |
|---|---|
| InChI | InChI=1S/C16H15N3S2/c20-16-18-17-15(19(16)14-9-5-2-6-10-14)12-21-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20) |
| InChIKey | FOLJLLOCGPNDEV-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C16H15N3S2 |
| Exact Mass | 313.07074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJzUoHU3xfU |
|---|---|
| Name | 4H-1,2,4-Triazole-3-thiol, 5-benzylthiomethyl-4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.070739843 u |
| Formula | C16H15N3S2 |
| InChI | InChI=1S/C16H15N3S2/c20-16-18-17-15(19(16)14-9-5-2-6-10-14)12-21-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20) |
| InChIKey | FOLJLLOCGPNDEV-UHFFFAOYSA-N |
| Molecular Weight | 313.437 g/mol |
| SMILES | C1=CC=C(N2C(=NN=C2CSCC2=CC=CC=C2)S)C=C1 |