| SpectraBase Compound ID | IBjLSX09jyN |
|---|---|
| InChI | InChI=1S/C17H8F6O5/c18-16(19,20)14(25)27-11-7-6-10(13(24)9-4-2-1-3-5-9)8-12(11)28-15(26)17(21,22)23/h1-8H |
| InChIKey | MBGUKSHWUJOGEE-UHFFFAOYSA-N |
| Mol Weight | 406.24 g/mol |
| Molecular Formula | C17H8F6O5 |
| Exact Mass | 406.027592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPHe1DzmUYO |
|---|---|
| Name | 3,4-Dihydroxybenzophenone, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.027592331 u |
| Formula | C17H8F6O5 |
| InChI | InChI=1S/C17H8F6O5/c18-16(19,20)14(25)27-11-7-6-10(13(24)9-4-2-1-3-5-9)8-12(11)28-15(26)17(21,22)23/h1-8H |
| InChIKey | MBGUKSHWUJOGEE-UHFFFAOYSA-N |
| Molecular Weight | 406.236 g/mol |
| SMILES | C1(OC(C(F)(F)F)=O)=C(C=CC(=C1)C(=O)C1=CC=CC=C1)OC(C(F)(F)F)=O |