| SpectraBase Spectrum ID |
97SMzfU8zos |
| Name |
2-Benzyl-6,7-dimethyl-4-(4-methylbenzyl)-1,4-dihydroisoquinoline-3,5,8-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.183443666 u |
| Formula |
C26H25NO3 |
| InChI |
InChI=1S/C26H25NO3/c1-16-9-11-19(12-10-16)13-21-23-22(24(28)17(2)18(3)25(23)29)15-27(26(21)30)14-20-7-5-4-6-8-20/h4-12,21H,13-15H2,1-3H3 |
| InChIKey |
PTHGPBNBQYSBCQ-UHFFFAOYSA-N |
| Molecular Weight |
399.490 g/mol |
| SMILES |
C1N(C(C(C=2C(C(=C(C(C12)=O)C)C)=O)CC=1C=CC(=CC1)C)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913546 |
