| SpectraBase Compound ID | IgNpcd9fIK2 |
|---|---|
| InChI | InChI=1S/C14H11F7O3/c1-8(22)2-3-9-4-6-10(7-5-9)24-11(23)12(15,16)13(17,18)14(19,20)21/h4-7H,2-3H2,1H3 |
| InChIKey | RDDUEDMZNZIQGC-UHFFFAOYSA-N |
| Mol Weight | 360.23 g/mol |
| Molecular Formula | C14H11F7O3 |
| Exact Mass | 360.059641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hj1nUiliyiQ |
|---|---|
| Name | 4-(4-Hydroxyphenyl)-2-butanone, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.059641352 u |
| Formula | C14H11F7O3 |
| InChI | InChI=1S/C14H11F7O3/c1-8(22)2-3-9-4-6-10(7-5-9)24-11(23)12(15,16)13(17,18)14(19,20)21/h4-7H,2-3H2,1H3 |
| InChIKey | RDDUEDMZNZIQGC-UHFFFAOYSA-N |
| Molecular Weight | 360.228 g/mol |
| SMILES | C(CC(C)=O)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |