| SpectraBase Spectrum ID |
LeMDn2fVZ8W |
| Name |
2-((2E)-3-((3-Chloro-4-fluorophenyl)sulfanyl)-3-(4-chlorophenyl)-2-propenylidene)malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.984753035 u |
| Formula |
C18H9Cl2FN2S |
| InChI |
InChI=1S/C18H9Cl2FN2S/c19-14-4-2-13(3-5-14)18(8-1-12(10-22)11-23)24-15-6-7-17(21)16(20)9-15/h1-9H/b18-8+ |
| InChIKey |
ZZBHKVIOLKCSRC-QGMBQPNBSA-N |
| Molecular Weight |
375.248 g/mol |
| SMILES |
C(\C=C/(SC1=CC(Cl)=C(C=C1)F)C1=CC=C(C=C1)Cl)=C(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929839 |
