| SpectraBase Compound ID | 5B1avFZavx3 |
|---|---|
| InChI | InChI=1S/C2H2F3IS/c3-2(4,5)7-1-6/h1H2 |
| InChIKey | FCOXNCRJVGUBQP-UHFFFAOYSA-N |
| Mol Weight | 242.0 g/mol |
| Molecular Formula | C2H2F3IS |
| Exact Mass | 241.887401 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXJID5nnRF9 |
|---|---|
| Name | Iodomethyl trifluoromethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.887400727 u |
| Formula | C2H2F3IS |
| InChI | InChI=1S/C2H2F3IS/c3-2(4,5)7-1-6/h1H2 |
| InChIKey | FCOXNCRJVGUBQP-UHFFFAOYSA-N |
| Molecular Weight | 241.998 g/mol |
| SMILES | C(F)(F)(SCI)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839948 |