![4-[(4-Fluorophenoxy)methyl]benzoic acid, tms derivative](/api/spectrum/FA4D23Mk5nB/structure.png?h=300&w=458 "4-[(4-Fluorophenoxy)methyl]benzoic acid, tms derivative")
| SpectraBase Compound ID | CM5dkcwQw8U |
|---|---|
| InChI | InChI=1S/C17H19FO3Si/c1-22(2,3)21-17(19)14-6-4-13(5-7-14)12-20-16-10-8-15(18)9-11-16/h4-11H,12H2,1-3H3 |
| InChIKey | SAZGEQIHUTZPEZ-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C17H19FO3Si |
| Exact Mass | 318.108749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FA4D23Mk5nB |
|---|---|
| Name | 4-[(4-Fluorophenoxy)methyl]benzoic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.108749167 u |
| Formula | C17H19FO3Si |
| InChI | InChI=1S/C17H19FO3Si/c1-22(2,3)21-17(19)14-6-4-13(5-7-14)12-20-16-10-8-15(18)9-11-16/h4-11H,12H2,1-3H3 |
| InChIKey | SAZGEQIHUTZPEZ-UHFFFAOYSA-N |
| Molecular Weight | 318.419 g/mol |
| SMILES | C1(F)=CC=C(C=C1)OCC1=CC=C(C=C1)C(=O)O[Si](C)(C)C |