| SpectraBase Spectrum ID |
EtARoj5c7LY |
| Name |
1-Chloro-2-(((4-chloro-2-nitrophenyl)sulfanyl)methyl)-3-fluorobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.963683237 u |
| Formula |
C13H8Cl2FNO2S |
| InChI |
InChI=1S/C13H8Cl2FNO2S/c14-8-4-5-13(12(6-8)17(18)19)20-7-9-10(15)2-1-3-11(9)16/h1-6H,7H2 |
| InChIKey |
KAHYYWMLZHZLQU-UHFFFAOYSA-N |
| Molecular Weight |
332.176 g/mol |
| SMILES |
C1(N(=O)=O)=CC(Cl)=CC=C1SCC1=C(F)C=CC=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941801 |
