| SpectraBase Compound ID | IHeA0Fo8yQ |
|---|---|
| InChI | InChI=1S/C16H11F5O3/c1-23-9-4-2-3-8(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 | QODMXIHTRITJTA-UHFFFAOYSA-N |
| Mol Weight | 346.25 g/mol |
| Molecular Formula | C16H11F5O3 |
| Exact Mass | 346.062835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AeXozXTUoO |
|---|---|
| Name | 3-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/c1-23-9-4-2-3-8(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 | QODMXIHTRITJTA-UHFFFAOYSA-N |
| Molecular Weight | 346.253 g/mol |
| SMILES | C1(=CC(=CC=C1)CC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)OC |