![1-Chloranyl-3-[3,3,3-tris(fluoranyl)prop-1-ynyl]benzene](/api/spectrum/40bO5mh6Vw/structure.png?h=300&w=458 "1-Chloranyl-3-[3,3,3-tris(fluoranyl)prop-1-ynyl]benzene")
| SpectraBase Compound ID | CDRfDBcFjE9 |
|---|---|
| InChI | InChI=1S/C9H4ClF3/c10-8-3-1-2-7(6-8)4-5-9(11,12)13/h1-3,6H |
| InChIKey | BVLWKGPMGWXDLI-UHFFFAOYSA-N |
| Mol Weight | 204.58 g/mol |
| Molecular Formula | C9H4ClF3 |
| Exact Mass | 203.995362 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 40bO5mh6Vw |
|---|---|
| Name | 1-Chloranyl-3-[3,3,3-tris(fluoranyl)prop-1-ynyl]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.995362318 u |
| Formula | C9H4ClF3 |
| InChI | InChI=1S/C9H4ClF3/c10-8-3-1-2-7(6-8)4-5-9(11,12)13/h1-3,6H |
| InChIKey | BVLWKGPMGWXDLI-UHFFFAOYSA-N |
| Molecular Weight | 204.579 g/mol |
| SMILES | C(C(F)(F)F)#CC=1C=C(Cl)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892294 |