| SpectraBase Spectrum ID |
800eAtqM47f |
| Name |
2-(4-Methylphenyl)-4,6,8-triphenyl-1-oxa-3,5,7-triazahepta-1,3,5-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.184112372 u |
| Formula |
C28H23N3O |
| InChI |
InChI=1S/C28H23N3O/c1-21-17-19-24(20-18-21)28(32)31-27(23-13-7-3-8-14-23)30-26(22-11-5-2-6-12-22)29-25-15-9-4-10-16-25/h2-20H,1H3,(H,29,30,31,32) |
| InChIKey |
COFICLVGRQHGCF-UHFFFAOYSA-N |
| Molecular Weight |
417.512 g/mol |
| SMILES |
C1(N\C(C2=CC=CC=C2)=N\C(C2=CC=CC=C2)=N/C(=O)C2=CC=C(C=C2)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9441 |
