SpectraBase Spectrum ID |
1tuW0fShmvq |
Name |
8-(4-Methylphenyl)-10-oxopyrido[1,2-A]quinoxaline-6,9-dicarbonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
336.101111021 u |
Formula |
C21H12N4O |
InChI |
InChI=1S/C21H12N4O/c1-13-6-8-14(9-7-13)15-10-20-18(12-23)24-17-4-2-3-5-19(17)25(20)21(26)16(15)11-22/h2-10H,1H3 |
InChIKey |
UABALGSTEAEZPV-UHFFFAOYSA-N |
Molecular Weight |
336.354 g/mol |
SMILES |
CC1=CC=C(C=2C=C3N(C=4C(=CC=CC4)N=C3C#N)C(=O)C2C#N)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820444 |