![2-Cyano-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enethioamide](/api/spectrum/7v6rhQmsDxQ/structure.png?h=300&w=458 "2-Cyano-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enethioamide")
| SpectraBase Compound ID | 8bMYDm6tolv |
|---|---|
| InChI | InChI=1S/C14H9N3O3S/c15-8-9(14(16)21)7-10-5-6-13(20-10)11-3-1-2-4-12(11)17(18)19/h1-7H,(H2,16,21)/b9-7+ |
| InChIKey | BSDDAONTMJZSDT-VQHVLOKHSA-N |
| Mol Weight | 299.3 g/mol |
| Molecular Formula | C14H9N3O3S |
| Exact Mass | 299.036462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7v6rhQmsDxQ |
|---|---|
| Name | 2-Cyano-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enethioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.036462333 u |
| Formula | C14H9N3O3S |
| InChI | InChI=1S/C14H9N3O3S/c15-8-9(14(16)21)7-10-5-6-13(20-10)11-3-1-2-4-12(11)17(18)19/h1-7H,(H2,16,21)/b9-7+ |
| InChIKey | BSDDAONTMJZSDT-VQHVLOKHSA-N |
| Molecular Weight | 299.304 g/mol |
| SMILES | C1=CC(=C(C=2OC(\C=C\(C(=S)N)C#N)=CC2)C=C1)N(=O)=O |