| SpectraBase Spectrum ID |
3x5SQPu81lj |
| Name |
Ethyl 2-methyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.111006999 u |
| Formula |
C14H16N2O4 |
| InChI |
InChI=1S/C14H16N2O4/c1-4-20-14(19)10-5-6-12-11(7-10)15-13(18)8(2)16(12)9(3)17/h5-8H,4H2,1-3H3,(H,15,18) |
| InChIKey |
JLDQJBUHZZGLMX-UHFFFAOYSA-N |
| SMILES |
C1(N(C2=C(NC1=O)C=C(C=C2)C(=O)OCC)C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821364 |
