| SpectraBase Compound ID | 1oaloN4VCXu |
|---|---|
| InChI | InChI=1S/C10H4F7NO4/c11-8(12,9(13,14)10(15,16)17)7(19)22-6-4-2-1-3-5(6)18(20)21/h1-4H |
| InChIKey | APSHITSULXCKEA-UHFFFAOYSA-N |
| Mol Weight | 335.13 g/mol |
| Molecular Formula | C10H4F7NO4 |
| Exact Mass | 335.002855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XywKy95vl5 |
|---|---|
| Name | 2-Nitrophenol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.002854750 u |
| Formula | C10H4F7NO4 |
| InChI | InChI=1S/C10H4F7NO4/c11-8(12,9(13,14)10(15,16)17)7(19)22-6-4-2-1-3-5(6)18(20)21/h1-4H |
| InChIKey | APSHITSULXCKEA-UHFFFAOYSA-N |
| Molecular Weight | 335.134 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)N(=O)=O |