| SpectraBase Compound ID | JNiVO5PUAFV |
|---|---|
| InChI | InChI=1S/C16H11F5O3/c1-23-10-5-3-2-4-8(10)6-11(22)24-7-9-12(17)14(19)16(21)15(20)13(9)18/h2-5H,6-7H2,1H3 |
| InChIKey | AQXIBMNSKADYMW-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 | AOUuEFuv2yI |
|---|---|
| Name | 2-Methoxyphenylacetic acid, pentafluorobenzoyl |
| 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/c1-23-10-5-3-2-4-8(10)6-11(22)24-7-9-12(17)14(19)16(21)15(20)13(9)18/h2-5H,6-7H2,1H3 |
| InChIKey | AQXIBMNSKADYMW-UHFFFAOYSA-N |
| Molecular Weight | 346.253 g/mol |
| SMILES | C1=C(C(=CC=C1)CC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)OC |