| SpectraBase Compound ID | JP5CoXR2FVG |
|---|---|
| InChI | InChI=1S/C11H9N3O4S2/c15-10(7-4-9(14(17)18)20-6-7)13-11(16)12-5-8-2-1-3-19-8/h1-4,6H,5H2,(H2,12,13,15,16) |
| InChIKey | BRARNELETJTZHS-UHFFFAOYSA-N |
| Mol Weight | 311.33 g/mol |
| Molecular Formula | C11H9N3O4S2 |
| Exact Mass | 311.003448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFM3LOFltaz |
|---|---|
| Name | 1-(5-Nitro-3-thenoyl)-3-(2-thenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.003448126 u |
| Formula | C11H9N3O4S2 |
| InChI | InChI=1S/C11H9N3O4S2/c15-10(7-4-9(14(17)18)20-6-7)13-11(16)12-5-8-2-1-3-19-8/h1-4,6H,5H2,(H2,12,13,15,16) |
| InChIKey | BRARNELETJTZHS-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1SC=C(C(NC(NCC=2SC=CC2)=O)=O)C1 |