| SpectraBase Spectrum ID |
1UOEHg4p0wO |
| Name |
Benzamide, 3,4-dihydroxy-N-(4-ethoxycarbonylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972434 |
