| SpectraBase Compound ID | 5godPUSyXyx |
|---|---|
| InChI | InChI=1S/C8H7F3O/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3 |
| InChIKey | BHPJMWUXVOTGQU-UHFFFAOYSA-N |
| Mol Weight | 176.14 g/mol |
| Molecular Formula | C8H7F3O |
| Exact Mass | 176.044899 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DAnYJjZLVVE |
|---|---|
| Name | o-(Trifluoromethyl)-anisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.044899333 u |
| Formula | C8H7F3O |
| InChI | InChI=1S/C8H7F3O/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3 |
| InChIKey | BHPJMWUXVOTGQU-UHFFFAOYSA-N |
| Molecular Weight | 176.138 g/mol |
| SMILES | C(F)(C=1C(OC)=CC=CC1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921677 |