| SpectraBase Compound ID | AdUxn2qY6JE |
|---|---|
| InChI | InChI=1S/C12H10FN3OS/c1-8-15-16-12(18-8)14-11(17)7-4-9-2-5-10(13)6-3-9/h2-7H,1H3,(H,14,16,17)/b7-4+ |
| InChIKey | KYLDNMIAHHEMMN-QPJJXVBHSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C12H10FN3OS |
| Exact Mass | 263.052861 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfGwqQWeLaR |
|---|---|
| Name | (2E)-3-(4-Fluorophenyl)-N-(5-methyl-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 | 263.052861290 u |
| Formula | C12H10FN3OS |
| InChI | InChI=1S/C12H10FN3OS/c1-8-15-16-12(18-8)14-11(17)7-4-9-2-5-10(13)6-3-9/h2-7H,1H3,(H,14,16,17)/b7-4+ |
| InChIKey | KYLDNMIAHHEMMN-QPJJXVBHSA-N |
| Molecular Weight | 263.290 g/mol |
| SMILES | N(C=1SC(C)=NN1)C(\C=C\C1=CC=C(C=C1)F)=O |