| SpectraBase Compound ID | EltiQAtO3kC |
|---|---|
| InChI | InChI=1S/C9H9FO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | DJBFVOJTBWVMKW-UHFFFAOYSA-N |
| Mol Weight | 168.17 g/mol |
| Molecular Formula | C9H9FO2 |
| Exact Mass | 168.058658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHcZmBmpaL0 |
|---|---|
| Name | 4-Fluorobenzylacetate;4-fluorobenzenemethanolacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.058657691 u |
| Formula | C9H9FO2 |
| InChI | InChI=1S/C9H9FO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | DJBFVOJTBWVMKW-UHFFFAOYSA-N |
| Molecular Weight | 168.167 g/mol |
| SMILES | C(=O)(C)OCC1=CC=C(F)C=C1 |