| SpectraBase Compound ID | 800iGXlnCAS |
|---|---|
| InChI | InChI=1S/C9H9F3O/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5H,6H2,1H3 |
| InChIKey | VSEBVHPRKPUKQD-UHFFFAOYSA-N |
| Mol Weight | 190.17 g/mol |
| Molecular Formula | C9H9F3O |
| Exact Mass | 190.060549 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H72eZaV14rW |
|---|---|
| Name | 1-(Methoxymethyl)-4-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.060549398 u |
| Formula | C9H9F3O |
| InChI | InChI=1S/C9H9F3O/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5H,6H2,1H3 |
| InChIKey | VSEBVHPRKPUKQD-UHFFFAOYSA-N |
| Molecular Weight | 190.165 g/mol |
| SMILES | C(OC)C=1C=CC(=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915642 |