| SpectraBase Compound ID | HdcirmGL6ZT |
|---|---|
| InChI | InChI=1S/C9H4F5NO4/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H |
| InChIKey | GCQVWUOVGFEIGY-UHFFFAOYSA-N |
| Mol Weight | 285.13 g/mol |
| Molecular Formula | C9H4F5NO4 |
| Exact Mass | 285.006048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 57lk7yawDoZ |
|---|---|
| Name | 4-Nitrophenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.006048424 u |
| Formula | C9H4F5NO4 |
| InChI | InChI=1S/C9H4F5NO4/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H |
| InChIKey | GCQVWUOVGFEIGY-UHFFFAOYSA-N |
| Molecular Weight | 285.126 g/mol |
| SMILES | C1=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)N(=O)=O |