![Methyl 2',3',4',5',6'-pentafluoro-[1,1'-biphenyl]-3-carboxylate](/api/spectrum/IGP7h7vdkfI/structure.png?h=300&w=458 "Methyl 2',3',4',5',6'-pentafluoro-[1,1'-biphenyl]-3-carboxylate")
| SpectraBase Compound ID | H8WWWul4483 |
|---|---|
| InChI | InChI=1S/C14H7F5O2/c1-21-14(20)7-4-2-3-6(5-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3 |
| InChIKey | KERAQDGNPUOGFF-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H7F5O2 |
| Exact Mass | 302.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGP7h7vdkfI |
|---|---|
| Name | Methyl 2',3',4',5',6'-pentafluoro-[1,1'-biphenyl]-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.036620278 u |
| Formula | C14H7F5O2 |
| InChI | InChI=1S/C14H7F5O2/c1-21-14(20)7-4-2-3-6(5-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3 |
| InChIKey | KERAQDGNPUOGFF-UHFFFAOYSA-N |
| Molecular Weight | 302.200 g/mol |
| SMILES | C=1C=C(C(=O)OC)C=C(C=2C(=C(C(F)=C(F)C2F)F)F)C1 |