| SpectraBase Compound ID | DY34nVNduWH |
|---|---|
| InChI | InChI=1S/C14H19FO3/c1-18-14(17)6-4-2-3-5-13(16)11-7-9-12(15)10-8-11/h7-10,13,16H,2-6H2,1H3/t13-/m0/s1 |
| InChIKey | XQCICSMAHRCOEC-ZDUSSCGKSA-N |
| Mol Weight | 254.3 g/mol |
| Molecular Formula | C14H19FO3 |
| Exact Mass | 254.131823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRzgbsfudNL |
|---|---|
| Name | Methyl (S)-7-(4-fluorophenyl)-7-hydroxyheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.131822632 u |
| Formula | C14H19FO3 |
| InChI | InChI=1S/C14H19FO3/c1-18-14(17)6-4-2-3-5-13(16)11-7-9-12(15)10-8-11/h7-10,13,16H,2-6H2,1H3/t13-/m0/s1 |
| InChIKey | XQCICSMAHRCOEC-ZDUSSCGKSA-N |
| Molecular Weight | 254.301 g/mol |
| SMILES | C(CCCCC[C@](O)(C=1C=CC(=CC1)F)[H])(=O)OC |