| SpectraBase Spectrum ID |
CUiwIIqBpjD |
| Name |
1-[(E)-2-Iodanylethenyl]sulfonyl-4-methyl-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.936795702 u |
| Formula |
C9H9IO2S |
| InChI |
InChI=1S/C9H9IO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-7H,1H3/b7-6+ |
| InChIKey |
HGOGIGFVVFXPRS-VOTSOKGWSA-N |
| Molecular Weight |
308.133 g/mol |
| SMILES |
C=1(S(\C=C\I)(=O)=O)C=CC(C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842874 |
![1-[(E)-2-iodanylethenyl]sulfonyl-4-methyl-benzene](/api/spectrum/CUiwIIqBpjD/structure.png?h=300&w=458 "1-[(E)-2-iodanylethenyl]sulfonyl-4-methyl-benzene")
