| SpectraBase Compound ID | EHKyZO5FiNl |
|---|---|
| InChI | InChI=1S/C15H9F5O3/c1-22-8-4-2-7(3-5-8)15(21)23-6-9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | UYUUBLUAEBWDKB-UHFFFAOYSA-N |
| Mol Weight | 332.23 g/mol |
| Molecular Formula | C15H9F5O3 |
| Exact Mass | 332.047185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6XhQZbxIMar |
|---|---|
| Name | 4-Methoxybenzoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.047184962 u |
| Formula | C15H9F5O3 |
| InChI | InChI=1S/C15H9F5O3/c1-22-8-4-2-7(3-5-8)15(21)23-6-9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | UYUUBLUAEBWDKB-UHFFFAOYSA-N |
| Molecular Weight | 332.226 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |