| SpectraBase Compound ID | II3pGXIbDR6 |
|---|---|
| InChI | InChI=1S/C16H8F6O4/c17-15(18,19)13(23)25-10-6-7-12(26-14(24)16(20,21)22)11(8-10)9-4-2-1-3-5-9/h1-8H |
| InChIKey | PFSBOFRMVALJLU-UHFFFAOYSA-N |
| Mol Weight | 378.23 g/mol |
| Molecular Formula | C16H8F6O4 |
| Exact Mass | 378.032678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9Z4rEDrcoPS |
|---|---|
| Name | 2,5-Dihydroxybiphenyl, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.032677712 u |
| Formula | C16H8F6O4 |
| InChI | InChI=1S/C16H8F6O4/c17-15(18,19)13(23)25-10-6-7-12(26-14(24)16(20,21)22)11(8-10)9-4-2-1-3-5-9/h1-8H |
| InChIKey | PFSBOFRMVALJLU-UHFFFAOYSA-N |
| Molecular Weight | 378.226 g/mol |
| SMILES | C1(OC(C(F)(F)F)=O)=C(C=C(C=C1)OC(C(F)(F)F)=O)C1=CC=CC=C1 |