| SpectraBase Compound ID | BgNOoIVn5TV |
|---|---|
| InChI | InChI=1S/C16H9F5O5/c1-24-6-9(22)25-7-3-2-4-8(5-7)26-16(23)10-11(17)13(19)15(21)14(20)12(10)18/h2-5H,6H2,1H3 |
| InChIKey | XOFBNLBEZXOAAU-UHFFFAOYSA-N |
| Mol Weight | 376.24 g/mol |
| Molecular Formula | C16H9F5O5 |
| Exact Mass | 376.037014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1RpuNGRWhVI |
|---|---|
| Name | 1,3-Benzenediol, o-methoxyacetyl-o'-pentafluorobenzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.037014200 u |
| Formula | C16H9F5O5 |
| InChI | InChI=1S/C16H9F5O5/c1-24-6-9(22)25-7-3-2-4-8(5-7)26-16(23)10-11(17)13(19)15(21)14(20)12(10)18/h2-5H,6H2,1H3 |
| InChIKey | XOFBNLBEZXOAAU-UHFFFAOYSA-N |
| Molecular Weight | 376.235 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)COC)OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |