| SpectraBase Spectrum ID |
CxvTGZ5gQQx |
| Name |
(Z)-2-((2-Iodobenzyl)thio)-1-phenylvinyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.983745895 u |
| Formula |
C17H15IO2S |
| InChI |
InChI=1S/C17H15IO2S/c1-13(19)20-17(14-7-3-2-4-8-14)12-21-11-15-9-5-6-10-16(15)18/h2-10,12H,11H2,1H3/b17-12- |
| InChIKey |
MMZUUZWNGORBRW-ATVHPVEESA-N |
| Molecular Weight |
410.269 g/mol |
| SMILES |
C=1C=C(\C(=C\SCC2=CC=CC=C2I)OC(=O)C)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930497 |
