SpectraBase Spectrum ID |
ERU2JcT1TBI |
Name |
1-(4-Ethoxyphenyl)-3-(phenylcarbonyl)-4H-pyrrolo[3,2-B]quinoxalin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
409.142641481 u |
Formula |
C25H19N3O3 |
InChI |
InChI=1S/C25H19N3O3/c1-2-31-18-14-12-17(13-15-18)28-24-22(26-19-10-6-7-11-20(19)27-24)21(25(28)30)23(29)16-8-4-3-5-9-16/h3-15,26H,2H2,1H3 |
InChIKey |
RQYYQJDOKRYXBR-UHFFFAOYSA-N |
Molecular Weight |
409.445 g/mol |
SMILES |
C12=NC=3C=CC=CC3NC2=C(C(N1C=1C=CC(=CC1)OCC)=O)C(C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860998 |