| SpectraBase Compound ID | 6kPdn1KwSp6 |
|---|---|
| InChI | InChI=1S/C3H2F3NS/c4-3(5,6)8-2-1-7/h2H2 |
| InChIKey | PHGGITSOPYXTPP-UHFFFAOYSA-N |
| Mol Weight | 141.11 g/mol |
| Molecular Formula | C3H2F3NS |
| Exact Mass | 140.986005 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GMJiDsguKFC |
|---|---|
| Name | 2-(Trifluoromethylsulfanyl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.986004731 u |
| Formula | C3H2F3NS |
| InChI | InChI=1S/C3H2F3NS/c4-3(5,6)8-2-1-7/h2H2 |
| InChIKey | PHGGITSOPYXTPP-UHFFFAOYSA-N |
| Molecular Weight | 141.111 g/mol |
| SMILES | C(SCC#N)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920646 |