| SpectraBase Compound ID | 8dh9V7zVSg8 |
|---|---|
| InChI | InChI=1S/C14H8F6O2/c15-13(16,17)12(14(18,19)20)22-11(21)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12H |
| InChIKey | NACJRCOQERIJDU-UHFFFAOYSA-N |
| Mol Weight | 322.21 g/mol |
| Molecular Formula | C14H8F6O2 |
| Exact Mass | 322.042848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ugDstEGiF7 |
|---|---|
| Name | 1,1,1,3,3,3-Hexafluoropropan-2-yl 1-napthoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.042848474 u |
| Formula | C14H8F6O2 |
| InChI | InChI=1S/C14H8F6O2/c15-13(16,17)12(14(18,19)20)22-11(21)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12H |
| InChIKey | NACJRCOQERIJDU-UHFFFAOYSA-N |
| Molecular Weight | 322.206 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(OC(C(F)(F)F)C(F)(F)F)=O)=CC=C2 |