| SpectraBase Compound ID | 8SI7mDbmshp |
|---|---|
| InChI | InChI=1S/C14H9BrN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H |
| InChIKey | XDCVPWPJOJXNNV-UHFFFAOYSA-N |
| Mol Weight | 317.2 g/mol |
| Molecular Formula | C14H9BrN2S |
| Exact Mass | 315.966982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJ3f5u0Gjml |
|---|---|
| Name | 1,3,4-Thiadiazole, 2-(4-bromophenyl)-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.966982472 u |
| Formula | C14H9BrN2S |
| InChI | InChI=1S/C14H9BrN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H |
| InChIKey | XDCVPWPJOJXNNV-UHFFFAOYSA-N |
| Molecular Weight | 317.204 g/mol |
| SMILES | C=1(SC(=NN1)C1=CC=C(C=C1)Br)C1=CC=CC=C1 |