| SpectraBase Compound ID | HLWSt0V7qos |
|---|---|
| InChI | InChI=1S/C9H7F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)14-8(15)5-13-16/h1-5,16H,(H,14,15)/b13-5+ |
| InChIKey | DDWUNUPFUUJKEA-WLRTZDKTSA-N |
| Mol Weight | 232.16 g/mol |
| Molecular Formula | C9H7F3N2O2 |
| Exact Mass | 232.045962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoFh4MZ1g07 |
|---|---|
| Name | Trifluoromethylisonitrosoacetanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.045961960 u |
| Formula | C9H7F3N2O2 |
| InChI | InChI=1S/C9H7F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)14-8(15)5-13-16/h1-5,16H,(H,14,15)/b13-5+ |
| InChIKey | DDWUNUPFUUJKEA-WLRTZDKTSA-N |
| Molecular Weight | 232.162 g/mol |
| SMILES | C1(C(F)(F)F)=CC(NC(\C=N\O)=O)=CC=C1 |