| SpectraBase Spectrum ID |
5XgPLQwC2Ux |
| Name |
1,2-Benzenedicarboxylic acid, 3-[[[(phenylamino)carbonyl]oxy]methyl]-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.136887394 u |
| Formula |
C20H21NO6 |
| InChI |
InChI=1S/C20H21NO6/c1-3-25-18(22)16-12-8-9-14(17(16)19(23)26-4-2)13-27-20(24)21-15-10-6-5-7-11-15/h5-12H,3-4,13H2,1-2H3,(H,21,24) |
| InChIKey |
WTKJQCMTECADTN-UHFFFAOYSA-N |
| Molecular Weight |
371.389 g/mol |
| SMILES |
C=1(C(C(=O)OCC)=CC=CC1COC(NC=1C=CC=CC1)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847481 |
![1,2-Benzenedicarboxylic acid, 3-[[[(phenylamino)carbonyl]oxy]methyl]-, diethyl ester](/api/spectrum/5XgPLQwC2Ux/structure.png?h=300&w=458 "1,2-Benzenedicarboxylic acid, 3-[[[(phenylamino)carbonyl]oxy]methyl]-, diethyl ester")
