| SpectraBase Spectrum ID |
AtyxwmnrQS1 |
| Name |
1,3-Benzodioxole, 4,5-dimethoxy-6-[2-(methylsulfinyl)-2-(methylthio)ethenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.043915958 u |
| Formula |
C13H16O5S2 |
| InChI |
InChI=1S/C13H16O5S2/c1-15-11-8(6-10(19-3)20(4)14)5-9-12(13(11)16-2)18-7-17-9/h5-6H,7H2,1-4H3/b10-6+ |
| InChIKey |
CPUKZGYYHFWJOF-UXBLZVDNSA-N |
| Molecular Weight |
316.386 g/mol |
| SMILES |
COC1=C(OC)C(=CC2=C1OCO2)\C=C/(SC)S(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883021 |
![1,3-Benzodioxole, 4,5-dimethoxy-6-[2-(methylsulfinyl)-2-(methylthio)ethenyl]-](/api/spectrum/AtyxwmnrQS1/structure.png?h=300&w=458 "1,3-Benzodioxole, 4,5-dimethoxy-6-[2-(methylsulfinyl)-2-(methylthio)ethenyl]-")
