SpectraBase Spectrum ID |
7Z7M4WMUu7h |
Name |
Ethyl 2-methyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.100442316 u |
Formula |
C12H14N2O3 |
InChI |
InChI=1S/C12H14N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7,13H,3H2,1-2H3,(H,14,15) |
InChIKey |
MLLYUWSDLZJMSV-UHFFFAOYSA-N |
Molecular Weight |
234.255 g/mol |
SMILES |
C1(NC2=C(NC1=O)C=C(C=C2)C(=O)OCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972142 |