| SpectraBase Spectrum ID |
LNXketCmG7Y |
| Name |
2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.104003501 u |
| Formula |
C25H17ClN4O2 |
| InChI |
InChI=1S/C25H17ClN4O2/c1-29-24(31)21-23(28-25(29)32)30(19-14-12-18(26)13-15-19)22(17-10-6-3-7-11-17)20(27-21)16-8-4-2-5-9-16/h2-15H,1H3 |
| InChIKey |
LZWQPVILMDOTME-UHFFFAOYSA-N |
| Molecular Weight |
440.890 g/mol |
| SMILES |
C=12C(=NC(=C(N2C=2C=CC(=CC2)Cl)C2=CC=CC=C2)C=2C=CC=CC2)C(=O)N(C(N1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917494 |
