| SpectraBase Compound ID | 2wqvIeAl0ax |
|---|---|
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)5-15-7-3-1-6(2-4-7)12(13)14/h1-4H,5H2 |
| InChIKey | PPYNEIXRXPMHLF-UHFFFAOYSA-N |
| Mol Weight | 221.14 g/mol |
| Molecular Formula | C8H6F3NO3 |
| Exact Mass | 221.029978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYWfBAzmGaG |
|---|---|
| Name | 1-Nitro-4-(2,2,2-trifluoroethoxy)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.029977543 u |
| Formula | C8H6F3NO3 |
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)5-15-7-3-1-6(2-4-7)12(13)14/h1-4H,5H2 |
| InChIKey | PPYNEIXRXPMHLF-UHFFFAOYSA-N |
| Molecular Weight | 221.135 g/mol |
| SMILES | C=1(C=CC(=CC1)OCC(F)(F)F)N(=O)=O |