| SpectraBase Spectrum ID |
JrkZS0t4AGt |
| Name |
(E)-1-[N-Benzyl-N-(5E-7,7-dimethoxyhept-5-enyl)amino]-2-(p-toluenesulfonyl)ethene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.213029717 u |
| Formula |
C25H33NO4S |
| InChI |
InChI=1S/C25H33NO4S/c1-22-14-16-24(17-15-22)31(27,28)20-19-26(21-23-11-7-6-8-12-23)18-10-5-4-9-13-25(29-2)30-3/h6-9,11-17,19-20,25H,4-5,10,18,21H2,1-3H3/b13-9+,20-19+ |
| InChIKey |
XWSAKINBXBCBMB-SOVQPLPISA-N |
| Molecular Weight |
443.602 g/mol |
| SMILES |
C(N(\C=C\S(C=1C=CC(=CC1)C)(=O)=O)CCCC\C=C\C(OC)OC)C=1C=CC=CC1 |
![(E)-1-[N-Benzyl-N-(5E-7,7-dimethoxyhept-5-enyl)amino]-2-(p-toluenesulfonyl)ethene](/api/spectrum/JrkZS0t4AGt/structure.png?h=300&w=458 "(E)-1-[N-Benzyl-N-(5E-7,7-dimethoxyhept-5-enyl)amino]-2-(p-toluenesulfonyl)ethene")
