| SpectraBase Compound ID | A3f7Mlao8co |
|---|---|
| InChI | InChI=1S/C3H4F3NOS/c4-3(5,6)9-1-2(7)8/h1H2,(H2,7,8) |
| InChIKey | ILLQQZCNBLZBEC-UHFFFAOYSA-N |
| Mol Weight | 159.13 g/mol |
| Molecular Formula | C3H4F3NOS |
| Exact Mass | 158.996569 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Je4duYJiQu6 |
|---|---|
| Name | 2-(Trifluoromethylsulfanyl)ethanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.996569415 u |
| Formula | C3H4F3NOS |
| InChI | InChI=1S/C3H4F3NOS/c4-3(5,6)9-1-2(7)8/h1H2,(H2,7,8) |
| InChIKey | ILLQQZCNBLZBEC-UHFFFAOYSA-N |
| Molecular Weight | 159.126 g/mol |
| SMILES | C(SCC(=O)N)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975772 |