SpectraBase Spectrum ID |
5bbiPjlYptu |
Name |
Oxalic acid, monoamide, N-(4-methoxybenzyl)-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.100107963 u |
Formula |
C12H15NO4 |
InChI |
InChI=1S/C12H15NO4/c1-3-17-12(15)11(14)13-8-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,14) |
InChIKey |
ITKVMJWKVNKTPE-UHFFFAOYSA-N |
Molecular Weight |
237.255 g/mol |
SMILES |
C(C(=O)OCC)(=O)NCC1=CC=C(OC)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960571 |