| SpectraBase Spectrum ID |
6FwLBjsSsLx |
| Name |
Benzamide, 3,4,5-tri(acetoxy)-N-(4-ethoxycarbonylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.121631251 u |
| Formula |
C22H21NO9 |
| InChI |
InChI=1S/C22H21NO9/c1-5-29-22(28)15-6-8-17(9-7-15)23-21(27)16-10-18(30-12(2)24)20(32-14(4)26)19(11-16)31-13(3)25/h6-11H,5H2,1-4H3,(H,23,27) |
| InChIKey |
OQFRMIWBJXUEQM-UHFFFAOYSA-N |
| Molecular Weight |
443.408 g/mol |
| SMILES |
C1(NC(C2=CC(=C(OC(C)=O)C(=C2)OC(C)=O)OC(=O)C)=O)=CC=C(C=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978259 |
