| SpectraBase Compound ID | B772veMiITa |
|---|---|
| InChI | InChI=1S/C16H15NO5/c1-2-22-16(21)10-3-6-12(7-4-10)17-15(20)11-5-8-13(18)14(19)9-11/h3-9,18-19H,2H2,1H3,(H,17,20) |
| InChIKey | BDRNARPRPYYDKP-UHFFFAOYSA-N |
| Mol Weight | 301.3 g/mol |
| Molecular Formula | C16H15NO5 |
| Exact Mass | 301.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89NLg0gA6CY |
|---|---|
| Name | Benzamide, 3,4-dihydroxy-N-(4-ethoxycarbonylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.095022582 u |
| Formula | C16H15NO5 |
| InChI | InChI=1S/C16H15NO5/c1-2-22-16(21)10-3-6-12(7-4-10)17-15(20)11-5-8-13(18)14(19)9-11/h3-9,18-19H,2H2,1H3,(H,17,20) |
| InChIKey | BDRNARPRPYYDKP-UHFFFAOYSA-N |
| Molecular Weight | 301.298 g/mol |
| SMILES | C1=C(C(NC2=CC=C(C=C2)C(=O)OCC)=O)C=C(C(=C1)O)O |