| SpectraBase Compound ID | KEu9XJ7aaRt |
|---|---|
| InChI | InChI=1S/C17H7F5O5/c18-16(19,17(20,21)22)15(26)27-10-6-5-9(23)11-12(10)14(25)8-4-2-1-3-7(8)13(11)24/h1-6,23H |
| InChIKey | IZKHKUGCLGAYNR-UHFFFAOYSA-N |
| Mol Weight | 386.23 g/mol |
| Molecular Formula | C17H7F5O5 |
| Exact Mass | 386.021364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ai5xZtJEc7z |
|---|---|
| Name | Quinizarin, o-(pentafluoropropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.021364135 u |
| Formula | C17H7F5O5 |
| InChI | InChI=1S/C17H7F5O5/c18-16(19,17(20,21)22)15(26)27-10-6-5-9(23)11-12(10)14(25)8-4-2-1-3-7(8)13(11)24/h1-6,23H |
| InChIKey | IZKHKUGCLGAYNR-UHFFFAOYSA-N |
| Molecular Weight | 386.230 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1O)OC(C(C(F)(F)F)(F)F)=O)=O |