| SpectraBase Spectrum ID |
5PyxeRcJUhH |
| Name |
Thiazolidin-4-one, 5-(3-iodo-4-methoxybenzylideno)-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.904115848 u |
| Formula |
C11H8INO2S2 |
| InChI |
InChI=1S/C11H8INO2S2/c1-15-8-3-2-6(4-7(8)12)5-9-10(14)13-11(16)17-9/h2-5H,1H3,(H,13,14,16)/b9-5- |
| InChIKey |
MHBVEBIDAVIUGP-UITAMQMPSA-N |
| Molecular Weight |
377.214 g/mol |
| SMILES |
COC=1C=CC(\C=C\2SC(NC2=O)=S)=CC1I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91802 |
