| SpectraBase Compound ID | 6vSBe8uYs6l |
|---|---|
| InChI | InChI=1S/C10H4F6O6/c11-9(12,13)7(18)21-2-4-1-5(17)6(3-20-4)22-8(19)10(14,15)16/h1,3H,2H2 |
| InChIKey | QSFXFSJRUKGUBK-UHFFFAOYSA-N |
| Mol Weight | 334.13 g/mol |
| Molecular Formula | C10H4F6O6 |
| Exact Mass | 333.991207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90qxTL5GtWz |
|---|---|
| Name | Kojic acid, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.991206821 u |
| Formula | C10H4F6O6 |
| InChI | InChI=1S/C10H4F6O6/c11-9(12,13)7(18)21-2-4-1-5(17)6(3-20-4)22-8(19)10(14,15)16/h1,3H,2H2 |
| InChIKey | QSFXFSJRUKGUBK-UHFFFAOYSA-N |
| Molecular Weight | 334.126 g/mol |
| SMILES | C(OC(C(F)(F)F)=O)C1=CC(=O)C(=CO1)OC(C(F)(F)F)=O |