![propanamide, N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-](/api/spectrum/3XumskeQZiO/structure.png?h=300&w=458 "propanamide, N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-")
| SpectraBase Compound ID | JhXEzJTq8vL |
|---|---|
| InChI | InChI=1S/C11H10N4O3S/c1-2-9(16)12-11-14-13-10(19-11)7-3-5-8(6-4-7)15(17)18/h3-6H,2H2,1H3,(H,12,14,16) |
| InChIKey | UBXVMQXYVMUJRJ-UHFFFAOYSA-N |
| Mol Weight | 278.29 g/mol |
| Molecular Formula | C11H10N4O3S |
| Exact Mass | 278.047361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XumskeQZiO |
|---|---|
| Name | Propanamide, N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.047361369 u |
| Formula | C11H10N4O3S |
| InChI | InChI=1S/C11H10N4O3S/c1-2-9(16)12-11-14-13-10(19-11)7-3-5-8(6-4-7)15(17)18/h3-6H,2H2,1H3,(H,12,14,16) |
| InChIKey | UBXVMQXYVMUJRJ-UHFFFAOYSA-N |
| SMILES | CCC(=O)NC=1SC(C2=CC=C(N(=O)=O)C=C2)=NN1 |