| SpectraBase Spectrum ID |
4SoAoXV55TK |
| Name |
(E)-2,4,6-Trimethoxystyryl 3-amino-4-methoxybenzyl sulfone, N-methyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.140258697 u |
| Formula |
C20H25NO6S |
| InChI |
InChI=1S/C20H25NO6S/c1-21-17-10-14(6-7-18(17)25-3)13-28(22,23)9-8-16-19(26-4)11-15(24-2)12-20(16)27-5/h6-12,21H,13H2,1-5H3/b9-8+ |
| InChIKey |
RKWOAYCNZZNXCZ-CMDGGOBGSA-N |
| Molecular Weight |
407.481 g/mol |
| SMILES |
C1(NC)=C(C=CC(=C1)CS(=O)(=O)\C=C\C1=C(C=C(C=C1OC)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964183 |
