| SpectraBase Compound ID | 26tCrxADEs |
|---|---|
| InChI | InChI=1S/C12H11N3O2S/c1-17-10-5-2-9(3-6-10)4-7-11(16)14-12-15-13-8-18-12/h2-8H,1H3,(H,14,15,16)/b7-4+ |
| InChIKey | PJNPZJNPLYLZKJ-QPJJXVBHSA-N |
| Mol Weight | 261.3 g/mol |
| Molecular Formula | C12H11N3O2S |
| Exact Mass | 261.057198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9wweQblESo |
|---|---|
| Name | (2E)-3-(4-Methoxyphenyl)-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 | 261.057197778 u |
| Formula | C12H11N3O2S |
| InChI | InChI=1S/C12H11N3O2S/c1-17-10-5-2-9(3-6-10)4-7-11(16)14-12-15-13-8-18-12/h2-8H,1H3,(H,14,15,16)/b7-4+ |
| InChIKey | PJNPZJNPLYLZKJ-QPJJXVBHSA-N |
| SMILES | N(C=1SC=NN1)C(\C=C\C1=CC=C(C=C1)OC)=O |