| SpectraBase Compound ID | BwKgwK1DJze |
|---|---|
| InChI | InChI=1S/C16H14N2OS2/c1-19-14-9-7-13(8-10-14)15-17-18-16(21-15)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | NWRNDWXZYXPTOM-UHFFFAOYSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C16H14N2OS2 |
| Exact Mass | 314.054755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K3oFiBrrbW4 |
|---|---|
| Name | 2-Benzylthio-5-(4-methoxyphenyl)-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.054755426 u |
| Formula | C16H14N2OS2 |
| InChI | InChI=1S/C16H14N2OS2/c1-19-14-9-7-13(8-10-14)15-17-18-16(21-15)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | NWRNDWXZYXPTOM-UHFFFAOYSA-N |
| Molecular Weight | 314.421 g/mol |
| SMILES | C1(=CC=CC=C1)CSC1=NN=C(C2=CC=C(C=C2)OC)S1 |