| SpectraBase Compound ID | H9zCBiKuNb |
|---|---|
| InChI | InChI=1S/C11H8BrN3OS/c12-9-4-1-8(2-5-9)3-6-10(16)14-11-15-13-7-17-11/h1-7H,(H,14,15,16)/b6-3+ |
| InChIKey | WKLKCCUBNJPEPE-ZZXKWVIFSA-N |
| Mol Weight | 310.17 g/mol |
| Molecular Formula | C11H8BrN3OS |
| Exact Mass | 308.957146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sCziHldJFy |
|---|---|
| Name | (2E)-3-(4-Bromophenyl)-N-(1,3,4-thiadiazol-2-yl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.957146063 u |
| Formula | C11H8BrN3OS |
| InChI | InChI=1S/C11H8BrN3OS/c12-9-4-1-8(2-5-9)3-6-10(16)14-11-15-13-7-17-11/h1-7H,(H,14,15,16)/b6-3+ |
| InChIKey | WKLKCCUBNJPEPE-ZZXKWVIFSA-N |
| SMILES | N(C=1SC=NN1)C(\C=C\C=1C=CC(Br)=CC1)=O |