| SpectraBase Spectrum ID |
LxFZKBq8YI4 |
| Name |
4-(Chloromethyl)-4-hydroxy-3-(4-nitrobenzyl)thiazolidine-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.989962267 u |
| Formula |
C11H11ClN2O3S2 |
| InChI |
InChI=1S/C11H11ClN2O3S2/c12-6-11(15)7-19-10(18)13(11)5-8-1-3-9(4-2-8)14(16)17/h1-4,15H,5-7H2 |
| InChIKey |
GPKUMOLAETYGQC-UHFFFAOYSA-N |
| Molecular Weight |
318.793 g/mol |
| SMILES |
C=1(C=CC(CN2C(SCC2(CCl)O)=S)=CC1)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833264 |
