| SpectraBase Compound ID | EE2CVnUFFN4 |
|---|---|
| InChI | InChI=1S/C18H9F5O2/c19-13-12(14(20)16(22)17(23)15(13)21)8-25-18(24)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2 |
| InChIKey | UOEDFXKZNKONDF-UHFFFAOYSA-N |
| Mol Weight | 352.26 g/mol |
| Molecular Formula | C18H9F5O2 |
| Exact Mass | 352.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DB3ahl1soSm |
|---|---|
| Name | 1-Naphthoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.052270343 u |
| Formula | C18H9F5O2 |
| InChI | InChI=1S/C18H9F5O2/c19-13-12(14(20)16(22)17(23)15(13)21)8-25-18(24)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2 |
| InChIKey | UOEDFXKZNKONDF-UHFFFAOYSA-N |
| Molecular Weight | 352.260 g/mol |
| SMILES | C1=C(C2=CC=CC=C2C=C1)C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |