| SpectraBase Compound ID | BlngXIlWV8i |
|---|---|
| InChI | InChI=1S/C9H9F2NO2/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13) |
| InChIKey | YZAFOMJODXAJQD-UHFFFAOYSA-N |
| Mol Weight | 201.17 g/mol |
| Molecular Formula | C9H9F2NO2 |
| Exact Mass | 201.060135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5KAEEMCEWd |
|---|---|
| Name | 4-(Difluoromethoxy)aniline, N-acetyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.060134858 u |
| Formula | C9H9F2NO2 |
| InChI | InChI=1S/C9H9F2NO2/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13) |
| InChIKey | YZAFOMJODXAJQD-UHFFFAOYSA-N |
| Molecular Weight | 201.173 g/mol |
| SMILES | C1(NC(=O)C)=CC=C(C=C1)OC(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955682 |