![[1,3]Dithiolan-2-ylidene-fluoro-acetonitrile](/api/spectrum/HLYCreLYMj3/structure.png?h=300&w=458 "[1,3]Dithiolan-2-ylidene-fluoro-acetonitrile")
| SpectraBase Compound ID | 3jk7IQXKwFG |
|---|---|
| InChI | InChI=1S/C5H4FNS2/c6-4(3-7)5-8-1-2-9-5/h1-2H2 |
| InChIKey | QWXDLEXCJIHCGI-UHFFFAOYSA-N |
| Mol Weight | 161.21 g/mol |
| Molecular Formula | C5H4FNS2 |
| Exact Mass | 160.97692 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HLYCreLYMj3 |
|---|---|
| Name | [1,3]Dithiolan-2-ylidene-fluoro-acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.976919644 u |
| Formula | C5H4FNS2 |
| InChI | InChI=1S/C5H4FNS2/c6-4(3-7)5-8-1-2-9-5/h1-2H2 |
| InChIKey | QWXDLEXCJIHCGI-UHFFFAOYSA-N |
| Molecular Weight | 161.212 g/mol |
| SMILES | C(=C1SCCS1)(C#N)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922234 |