| SpectraBase Compound ID | EEeDdhKhlX4 |
|---|---|
| InChI | InChI=1S/C14H19FO2/c1-10(2)8-11(3)14(16)17-9-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3 |
| InChIKey | QSTZNCBCUHWELM-UHFFFAOYSA-N |
| Mol Weight | 238.3 g/mol |
| Molecular Formula | C14H19FO2 |
| Exact Mass | 238.136908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rVjIevh0c |
|---|---|
| Name | Pentanoic acid, 2,4-dimethyl-, (4-fluorophenyl)methyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.136908013 u |
| Formula | C14H19FO2 |
| InChI | InChI=1S/C14H19FO2/c1-10(2)8-11(3)14(16)17-9-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3 |
| InChIKey | QSTZNCBCUHWELM-UHFFFAOYSA-N |
| Molecular Weight | 238.302 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)F)(C(CC(C)C)C)=O |