| SpectraBase Compound ID | 3Qq4JFRlFUr |
|---|---|
| InChI | InChI=1S/C15H12F6O7/c1-25-10(22)8-5-26-11(28-13(24)15(19,20)21)9-6(2-3-7(8)9)4-27-12(23)14(16,17)18/h2,5,7,9,11H,3-4H2,1H3 |
| InChIKey | YJZBKNYJYSRFLV-UHFFFAOYSA-N |
| Mol Weight | 418.24 g/mol |
| Molecular Formula | C15H12F6O7 |
| Exact Mass | 418.048722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gNfTzUuV7J |
|---|---|
| Name | Genipin, o,o'-bis(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.048721697 u |
| Formula | C15H12F6O7 |
| InChI | InChI=1S/C15H12F6O7/c1-25-10(22)8-5-26-11(28-13(24)15(19,20)21)9-6(2-3-7(8)9)4-27-12(23)14(16,17)18/h2,5,7,9,11H,3-4H2,1H3 |
| InChIKey | YJZBKNYJYSRFLV-UHFFFAOYSA-N |
| Molecular Weight | 418.244 g/mol |
| SMILES | COC(=O)C1=COC(C2C1CC=C2COC(C(F)(F)F)=O)OC(C(F)(F)F)=O |