| SpectraBase Spectrum ID |
2JAL3JW69E9 |
| Name |
N,N-Dibenzyl-[2-(p-toluenesulfonyl)penta-1,4-dienyl]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.176250285 u |
| Formula |
C26H27NO2S |
| InChI |
InChI=1S/C26H27NO2S/c1-3-10-26(30(28,29)25-17-15-22(2)16-18-25)21-27(19-23-11-6-4-7-12-23)20-24-13-8-5-9-14-24/h3-9,11-18,21H,1,10,19-20H2,2H3/b26-21- |
| InChIKey |
LGSNDXVSZWXKIM-QLYXXIJNSA-N |
| Molecular Weight |
417.567 g/mol |
| SMILES |
C(N(\C=C\(S(C=1C=CC(=CC1)C)(=O)=O)CC=C)CC=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924261 |
![N,N-Dibenzyl-[2-(p-toluenesulfonyl)penta-1,4-dienyl]amine](/api/spectrum/2JAL3JW69E9/structure.png?h=300&w=458 "N,N-Dibenzyl-[2-(p-toluenesulfonyl)penta-1,4-dienyl]amine")
