![5-[(3'-Oxo-2'-{ethoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole](/api/spectrum/HMRy3lXzL3N/structure.png?h=300&w=458 "5-[(3'-Oxo-2'-{ethoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole")
| SpectraBase Compound ID | JjhEfRqpjcg |
|---|---|
| InChI | InChI=1S/C14H15N3O3/c1-3-20-14(19)11(9(2)18)7-15-10-4-5-12-13(6-10)17-8-16-12/h4-8,15H,3H2,1-2H3,(H,16,17)/b11-7+ |
| InChIKey | OJHXQRRYHKPCOA-YRNVUSSQSA-N |
| Mol Weight | 273.29 g/mol |
| Molecular Formula | C14H15N3O3 |
| Exact Mass | 273.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMRy3lXzL3N |
|---|---|
| Name | 5-[(3'-oxo-2'-{Ethoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.111341352 u |
| Formula | C14H15N3O3 |
| InChI | InChI=1S/C14H15N3O3/c1-3-20-14(19)11(9(2)18)7-15-10-4-5-12-13(6-10)17-8-16-12/h4-8,15H,3H2,1-2H3,(H,16,17)/b11-7+ |
| InChIKey | OJHXQRRYHKPCOA-YRNVUSSQSA-N |
| SMILES | C=1(N\C=C\(C(=O)OCC)C(=O)C)C=C2N=CNC2=CC1 |