| SpectraBase Compound ID | AQllr8ivL8c |
|---|---|
| InChI | InChI=1S/C9H8ClF3S/c10-8(9(11,12)13)14-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | ILSYBMUUWUTHQR-UHFFFAOYSA-N |
| Mol Weight | 240.67 g/mol |
| Molecular Formula | C9H8ClF3S |
| Exact Mass | 239.998734 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 265nQAC2Txu |
|---|---|
| Name | Benzyl(1-chloro-2,2,2-trifluoroethyl)sulfane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.998733621 u |
| Formula | C9H8ClF3S |
| InChI | InChI=1S/C9H8ClF3S/c10-8(9(11,12)13)14-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | ILSYBMUUWUTHQR-UHFFFAOYSA-N |
| Molecular Weight | 240.671 g/mol |
| SMILES | C(C(SCC=1C=CC=CC1)Cl)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894618 |