| SpectraBase Spectrum ID |
9zG6wHu9IKh |
| Name |
N-(3-Tolyl)-2,2-bis(ethoxycarbonyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.126322711 u |
| Formula |
C15H19NO5 |
| InChI |
InChI=1S/C15H19NO5/c1-4-20-14(18)12(15(19)21-5-2)13(17)16-11-8-6-7-10(3)9-11/h6-9,12H,4-5H2,1-3H3,(H,16,17) |
| InChIKey |
YSGRTEQBBHCJQQ-UHFFFAOYSA-N |
| SMILES |
C1(NC(C(C(OCC)=O)C(OCC)=O)=O)=CC(=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982106 |
