SpectraBase Spectrum ID |
5UnZONIoB78 |
Name |
Ethyl {[4-(acetylamino)benzoyl]amino}acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
264.111006999 u |
Formula |
C13H16N2O4 |
InChI |
InChI=1S/C13H16N2O4/c1-3-19-12(17)8-14-13(18)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16) |
InChIKey |
PYYUARRKZRMQDF-UHFFFAOYSA-N |
Molecular Weight |
264.281 g/mol |
SMILES |
C(NC(=O)C1=CC=C(C=C1)NC(=O)C)C(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97797 |