| SpectraBase Spectrum ID |
K3kO8zpJAKv |
| Name |
2-Benzoyl-1-(2-methoxycarbonylbenzyl)-1-cyano-1,2-dihydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.147392509 u |
| Formula |
C26H20N2O3 |
| InChI |
InChI=1S/C26H20N2O3/c1-31-25(30)22-13-7-5-12-21(22)17-26(18-27)23-14-8-6-9-19(23)15-16-28(26)24(29)20-10-3-2-4-11-20/h2-16H,17H2,1H3 |
| InChIKey |
BIXQXMYHOLYLRO-UHFFFAOYSA-N |
| Molecular Weight |
408.457 g/mol |
| SMILES |
C1(N(C(=O)C2=CC=CC=C2)C=CC2=C1C=CC=C2)(CC=1C(C(=O)OC)=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837024 |
