| SpectraBase Spectrum ID |
A3bIU82PnBb |
| Name |
1,3-Benzodioxole, 5-[6-(1,3-dithian-2-ylidenemethyl)-2,3,4-trimethoxyphenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.090866151 u |
| Formula |
C21H22O5S2 |
| InChI |
InChI=1S/C21H22O5S2/c1-22-17-10-14(11-18-27-7-4-8-28-18)19(21(24-3)20(17)23-2)13-5-6-15-16(9-13)26-12-25-15/h5-6,9-11H,4,7-8,12H2,1-3H3 |
| InChIKey |
MCHOITHIFJJANZ-UHFFFAOYSA-N |
| Molecular Weight |
418.522 g/mol |
| SMILES |
C=1(C(=C(C=C2SCCCS2)C=C(C1OC)OC)C=1C=C2OCOC2=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8839 |
![1,3-Benzodioxole, 5-[6-(1,3-dithian-2-ylidenemethyl)-2,3,4-trimethoxyphenyl]-](/api/spectrum/A3bIU82PnBb/structure.png?h=300&w=458 "1,3-Benzodioxole, 5-[6-(1,3-dithian-2-ylidenemethyl)-2,3,4-trimethoxyphenyl]-")
