| SpectraBase Compound ID | 2BpyHhJ2gi2 |
|---|---|
| InChI | InChI=1S/C13H10F8O2/c1-7-2-4-8(5-3-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3 |
| InChIKey | VFQPUOOYILXUNL-UHFFFAOYSA-N |
| Mol Weight | 350.21 g/mol |
| Molecular Formula | C13H10F8O2 |
| Exact Mass | 350.055305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hp8bupJgxp0 |
|---|---|
| Name | 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.055304864 u |
| Formula | C13H10F8O2 |
| InChI | InChI=1S/C13H10F8O2/c1-7-2-4-8(5-3-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3 |
| InChIKey | VFQPUOOYILXUNL-UHFFFAOYSA-N |
| Molecular Weight | 350.208 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C |