| SpectraBase Spectrum ID |
Fj4UdQuFDcF |
| Name |
1,3-Dibenzyl-5-p-anisyl-pyrimidine-2,4-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.178692638 u |
| Formula |
C26H24N2O3 |
| InChI |
InChI=1S/C26H24N2O3/c1-31-24-14-12-20(13-15-24)16-23-19-27(17-21-8-4-2-5-9-21)26(30)28(25(23)29)18-22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3 |
| InChIKey |
UHYHGUYZKLHPOQ-UHFFFAOYSA-N |
| Molecular Weight |
412.489 g/mol |
| SMILES |
C1(N(C(C(=CN1CC=1C=CC=CC1)CC=1C=CC(=CC1)OC)=O)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93101 |
