| SpectraBase Compound ID | Geju3sXMloH |
|---|---|
| InChI | InChI=1S/C9H3F9/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16,17)18/h1-3H |
| InChIKey | RXJLQXXWAYTRIW-UHFFFAOYSA-N |
| Mol Weight | 282.11 g/mol |
| Molecular Formula | C9H3F9 |
| Exact Mass | 282.009104 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B7YEWJLoWWE |
|---|---|
| Name | 1,2,3-Tris(trifluoromethyl)-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.009103564 u |
| Formula | C9H3F9 |
| InChI | InChI=1S/C9H3F9/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16,17)18/h1-3H |
| InChIKey | RXJLQXXWAYTRIW-UHFFFAOYSA-N |
| Molecular Weight | 282.109 g/mol |
| SMILES | C=1(C(=C(C=CC1)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955688 |