| SpectraBase Compound ID | JQJsZt8bSrr |
|---|---|
| InChI | InChI=1S/C9H7F4NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChIKey | NFBVACBHJWDSQC-UHFFFAOYSA-N |
| Mol Weight | 221.15 g/mol |
| Molecular Formula | C9H7F4NO |
| Exact Mass | 221.046377 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JqzIgtUcf5m |
|---|---|
| Name | Trifluoroacetamide,(4-fluorobenzyl) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.046376500 u |
| Formula | C9H7F4NO |
| InChI | InChI=1S/C9H7F4NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChIKey | NFBVACBHJWDSQC-UHFFFAOYSA-N |
| Molecular Weight | 221.155 g/mol |
| SMILES | C(NCC1=CC=C(C=C1)F)(=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817575 |