| SpectraBase Spectrum ID |
faTLOdfCde |
| Name |
1,1-bis(Methylthio)-2-(4'-iodobenzoyl)ethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.929602321 u |
| Formula |
C11H11IOS2 |
| InChI |
InChI=1S/C11H11IOS2/c1-14-11(15-2)7-10(13)8-3-5-9(12)6-4-8/h3-7H,1-2H3 |
| InChIKey |
WKUYSQXVJNGGIP-UHFFFAOYSA-N |
| Molecular Weight |
350.232 g/mol |
| SMILES |
C(C(C1=CC=C(C=C1)I)=O)=C(SC)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921166 |
