| SpectraBase Spectrum ID |
LQ5fm17WFlV |
| Name |
3-(2-Ethoxycarbonylethyl)-2(1H)-quinoxalinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-2-18-12(16)8-7-11-13(17)15-10-6-4-3-5-9(10)14-11/h3-6H,2,7-8H2,1H3,(H,15,17) |
| InChIKey |
HDMCYNMZRABKGL-UHFFFAOYSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
C12=C(NC(C(=N2)CCC(OCC)=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800476 |
