| SpectraBase Spectrum ID |
74voHGVM5Zf |
| Name |
2-(Phenylethenylimino)-3-(phenylethenyl)-10-(prop-2-enyl)-2,3,4,10-tetrahydro-1,3,5-triazino[1,2-A]benzimidazole-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.190260380 u |
| Formula |
C28H23N5O |
| InChI |
InChI=1S/C28H23N5O/c1-2-20-31-24-15-9-10-16-25(24)33-27(31)30-26(29-19-17-22-11-5-3-6-12-22)32(28(33)34)21-18-23-13-7-4-8-14-23/h2-19,21H,1,20H2/b19-17+,21-18+,29-26- |
| InChIKey |
YPBRWOYHPOVCAD-FOBCVNLRSA-N |
| Molecular Weight |
445.526 g/mol |
| SMILES |
C1=2N(C(N(\C(N2)=N\C=C\C=2C=CC=CC2)\C=C\C=2C=CC=CC2)=O)C=2C(N1CC=C)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945402 |
![2-(Phenylethenylimino)-3-(phenylethenyl)-10-(prop-2-enyl)-2,3,4,10-tetrahydro-1,3,5-triazino[1,2-a]benzimidazole-4-one](/api/spectrum/74voHGVM5Zf/structure.png?h=300&w=458 "2-(Phenylethenylimino)-3-(phenylethenyl)-10-(prop-2-enyl)-2,3,4,10-tetrahydro-1,3,5-triazino[1,2-a]benzimidazole-4-one")
