| SpectraBase Compound ID | HTBv5z3EsFO |
|---|---|
| InChI | InChI=1S/C13H9F7O4/c1-6(21)9-7(23-2)4-3-5-8(9)24-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3 |
| InChIKey | KTPQPODNYGRNJF-UHFFFAOYSA-N |
| Mol Weight | 362.2 g/mol |
| Molecular Formula | C13H9F7O4 |
| Exact Mass | 362.038906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78UJ3QzJBhG |
|---|---|
| Name | 2'-Hydroxy-6'-methoxyacetophenone, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.038905907 u |
| Formula | C13H9F7O4 |
| InChI | InChI=1S/C13H9F7O4/c1-6(21)9-7(23-2)4-3-5-8(9)24-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3 |
| InChIKey | KTPQPODNYGRNJF-UHFFFAOYSA-N |
| Molecular Weight | 362.200 g/mol |
| SMILES | C1(C(=O)C)=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C1OC |