| SpectraBase Spectrum ID |
5Xe308BlgDn |
| Name |
2-Amino-2-oxoacetic acid, N-[(2-hydroxy-4,5-dimethyl)phenyl]-, methyl(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.084457899 u |
| Formula |
C11H13NO4 |
| InChI |
InChI=1S/C11H13NO4/c1-6-4-8(9(13)5-7(6)2)12-10(14)11(15)16-3/h4-5,13H,1-3H3,(H,12,14) |
| InChIKey |
LDOOZXVFQUSODE-UHFFFAOYSA-N |
| Molecular Weight |
223.228 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)C)C)O)NC(=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959488 |
![2-Amino-2-oxoacetic acid, N-[(2-hydroxy-4,5-dimethyl)phenyl]-, methyl(ester)](/api/spectrum/5Xe308BlgDn/structure.png?h=300&w=458 "2-Amino-2-oxoacetic acid, N-[(2-hydroxy-4,5-dimethyl)phenyl]-, methyl(ester)")
