| SpectraBase Compound ID | K6FIGZkfGzL |
|---|---|
| InChI | InChI=1S/C12H3F9O6/c13-10(14,15)7(22)25-4-1-5(26-8(23)11(16,17)18)3-6(2-4)27-9(24)12(19,20)21/h1-3H |
| InChIKey | IEOPDDSLKBQHLG-UHFFFAOYSA-N |
| Mol Weight | 414.14 g/mol |
| Molecular Formula | C12H3F9O6 |
| Exact Mass | 413.978591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxQrUwWebcj |
|---|---|
| Name | Phloroglucinol, tris(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.978591278 u |
| Formula | C12H3F9O6 |
| InChI | InChI=1S/C12H3F9O6/c13-10(14,15)7(22)25-4-1-5(26-8(23)11(16,17)18)3-6(2-4)27-9(24)12(19,20)21/h1-3H |
| InChIKey | IEOPDDSLKBQHLG-UHFFFAOYSA-N |
| Molecular Weight | 414.136 g/mol |
| SMILES | C1=C(C=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |