| SpectraBase Compound ID | G98z7F8RhSx |
|---|---|
| InChI | InChI=1S/C11H8F5NO5/c1-21-8-3-2-6(4-7(8)17(19)20)5-22-9(18)10(12,13)11(14,15)16/h2-4H,5H2,1H3 |
| InChIKey | UADMSTGRAVRVHB-UHFFFAOYSA-N |
| Mol Weight | 329.18 g/mol |
| Molecular Formula | C11H8F5NO5 |
| Exact Mass | 329.032263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7umkpZq2MUe |
|---|---|
| Name | 4-Methoxy-3-nitrobenzyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.032263172 u |
| Formula | C11H8F5NO5 |
| InChI | InChI=1S/C11H8F5NO5/c1-21-8-3-2-6(4-7(8)17(19)20)5-22-9(18)10(12,13)11(14,15)16/h2-4H,5H2,1H3 |
| InChIKey | UADMSTGRAVRVHB-UHFFFAOYSA-N |
| Molecular Weight | 329.179 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)N(=O)=O)COC(C(C(F)(F)F)(F)F)=O |