| SpectraBase Compound ID | LxRfpICd72w |
|---|---|
| InChI | InChI=1S/C19H9F5O2/c20-14-13(15(21)17(23)18(24)16(14)22)19(25)26-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | ZZIFUUFUMSUZNP-UHFFFAOYSA-N |
| Mol Weight | 364.27 g/mol |
| Molecular Formula | C19H9F5O2 |
| Exact Mass | 364.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLg7unwTM7z |
|---|---|
| Name | Pentafluorobenzoic acid, 4-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.052270343 u |
| Formula | C19H9F5O2 |
| InChI | InChI=1S/C19H9F5O2/c20-14-13(15(21)17(23)18(24)16(14)22)19(25)26-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | ZZIFUUFUMSUZNP-UHFFFAOYSA-N |
| Molecular Weight | 364.271 g/mol |
| SMILES | C1=CC=C(C=C1)C=1C=CC(OC(C2=C(C(=C(F)C(=C2F)F)F)F)=O)=CC1 |