| SpectraBase Compound ID | 8to00hW8wEm |
|---|---|
| InChI | InChI=1S/C18H8F6O4/c19-17(20,21)15(25)27-11-6-7-12-10(8-11)5-4-9-2-1-3-13(14(9)12)28-16(26)18(22,23)24/h1-8H |
| InChIKey | QNAUFTUFQDHDFT-UHFFFAOYSA-N |
| Mol Weight | 402.25 g/mol |
| Molecular Formula | C18H8F6O4 |
| Exact Mass | 402.032678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyDk6btddg1 |
|---|---|
| Name | 2,5-Dihydroxy phenanthrene, di(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.032677712 u |
| Formula | C18H8F6O4 |
| InChI | InChI=1S/C18H8F6O4/c19-17(20,21)15(25)27-11-6-7-12-10(8-11)5-4-9-2-1-3-13(14(9)12)28-16(26)18(22,23)24/h1-8H |
| InChIKey | QNAUFTUFQDHDFT-UHFFFAOYSA-N |
| Molecular Weight | 402.248 g/mol |
| SMILES | C12=C(C=CC=C2C=CC2=C1C=CC(=C2)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |