| SpectraBase Compound ID | 9lxLB7sIzdH |
|---|---|
| InChI | InChI=1S/C16H11F5O3/c1-23-9-4-2-8(3-5-9)6-11(22)24-7-10-12(17)14(19)16(21)15(20)13(10)18/h2-5H,6-7H2,1H3 |
| InChIKey | OAIPVQJTMRCFCO-UHFFFAOYSA-N |
| Mol Weight | 346.25 g/mol |
| Molecular Formula | C16H11F5O3 |
| Exact Mass | 346.062835 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 | Fbvm5OlPlG4 |
|---|---|
| Name | 4-Methoxyphenylacetic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.062835026 u |
| Formula | C16H11F5O3 |
| InChI | InChI=1S/C16H11F5O3/c1-23-9-4-2-8(3-5-9)6-11(22)24-7-10-12(17)14(19)16(21)15(20)13(10)18/h2-5H,6-7H2,1H3 |
| InChIKey | OAIPVQJTMRCFCO-UHFFFAOYSA-N |
| Molecular Weight | 346.253 g/mol |
| SMILES | C1=CC(=CC=C1OC)CC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O |