| SpectraBase Spectrum ID |
71SonPX3ip5 |
| Name |
(E)-2,4,6-Trimethoxystyryl 3-amino-4-methoxybenzyl sulfone, N,N-dimethyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.155908761 u |
| Formula |
C21H27NO6S |
| InChI |
InChI=1S/C21H27NO6S/c1-22(2)18-11-15(7-8-19(18)26-4)14-29(23,24)10-9-17-20(27-5)12-16(25-3)13-21(17)28-6/h7-13H,14H2,1-6H3/b10-9+ |
| InChIKey |
SWDFFMRMOUPSBV-MDZDMXLPSA-N |
| Molecular Weight |
421.508 g/mol |
| SMILES |
C1(N(C)C)=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) |
0.97367 |
