| SpectraBase Spectrum ID |
IKcUhE0CGP2 |
| Name |
Phenyl ester of 5-acetamido-2-ethoxyacetic acid |
| 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/c1-4-16-11-6-5-10(13-8(2)14)7-12(11)17-9(3)15/h5-7H,4H2,1-3H3,(H,13,14) |
| InChIKey |
WZJONAWLEKZFOS-UHFFFAOYSA-N |
| Molecular Weight |
237.255 g/mol |
| SMILES |
C=1(C=C(NC(=O)C)C=CC1OCC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951983 |
