| SpectraBase Compound ID | 6B3tvzF1vPt |
|---|---|
| InChI | InChI=1S/C9H7F3O3/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3 |
| InChIKey | JFFLBWZTJAWGNP-UHFFFAOYSA-N |
| Mol Weight | 220.15 g/mol |
| Molecular Formula | C9H7F3O3 |
| Exact Mass | 220.034729 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HEpUHZJkQ8F |
|---|---|
| Name | Methyl 4-(trifluoromethoxy)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.034728571 u |
| Formula | C9H7F3O3 |
| InChI | InChI=1S/C9H7F3O3/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3 |
| InChIKey | JFFLBWZTJAWGNP-UHFFFAOYSA-N |
| Molecular Weight | 220.147 g/mol |
| SMILES | C(F)(F)(F)OC1=CC=C(C=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863146 |