| SpectraBase Compound ID | 32T64107IdT |
|---|---|
| InChI | InChI=1S/C13H6F5NO3/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-7-3-1-6(2-4-7)19(20)21/h1-4H,5H2 |
| InChIKey | ZBEFSXOWVLJJQM-UHFFFAOYSA-N |
| Mol Weight | 319.19 g/mol |
| Molecular Formula | C13H6F5NO3 |
| Exact Mass | 319.026784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QAhHqKPNR |
|---|---|
| Name | 4-Nitrophenyl pentafluorobenzyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.026783869 u |
| Formula | C13H6F5NO3 |
| InChI | InChI=1S/C13H6F5NO3/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-7-3-1-6(2-4-7)19(20)21/h1-4H,5H2 |
| InChIKey | ZBEFSXOWVLJJQM-UHFFFAOYSA-N |
| Molecular Weight | 319.187 g/mol |
| SMILES | C1(OCC2=C(C(=C(C(=C2F)F)F)F)F)=CC=C(C=C1)N(=O)=O |