| SpectraBase Spectrum ID |
6HI8t3QfMvo |
| Name |
(E)-2,4,6-Trimethoxystyryl 3-amino-4-methoxybenzyl sulfone, N-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.135173316 u |
| Formula |
C21H25NO7S |
| InChI |
InChI=1S/C21H25NO7S/c1-14(23)22-18-10-15(6-7-19(18)27-3)13-30(24,25)9-8-17-20(28-4)11-16(26-2)12-21(17)29-5/h6-12H,13H2,1-5H3,(H,22,23)/b9-8+ |
| InChIKey |
OVNYJIQDWASLKB-CMDGGOBGSA-N |
| Molecular Weight |
435.491 g/mol |
| SMILES |
C(S(=O)(=O)\C=C\C1=C(C=C(C=C1OC)OC)OC)C1=CC(=C(C=C1)OC)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882681 |
