| SpectraBase Spectrum ID |
wxPoaz6fT4 |
| Name |
1-{[(Z)-2-iodo-2-phenylethenyl]sulfonyl}-4-methylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.968095831 u |
| Formula |
C15H13IO2S |
| InChI |
InChI=1S/C15H13IO2S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-11H,1H3/b15-11- |
| InChIKey |
SLHLHCRKKIAGCZ-PTNGSMBKSA-N |
| Molecular Weight |
384.231 g/mol |
| SMILES |
C=1C=CC(\C(=C\S(C2=CC=C(C=C2)C)(=O)=O)I)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907548 |