| SpectraBase Compound ID | IK6JqoidRxD |
|---|---|
| InChI | InChI=1S/C18H24F4O2/c1-2-3-4-5-6-7-8-9-12-24-17(23)15-13-14(19)10-11-16(15)18(20,21)22/h10-11,13H,2-9,12H2,1H3 |
| InChIKey | QPWCSQRQOKARHR-UHFFFAOYSA-N |
| Mol Weight | 348.38 g/mol |
| Molecular Formula | C18H24F4O2 |
| Exact Mass | 348.171243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPa5M1vMkAZ |
|---|---|
| Name | 5-Fluoro-2-trifluoromethylbenzoic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.171242663 u |
| Formula | C18H24F4O2 |
| InChI | InChI=1S/C18H24F4O2/c1-2-3-4-5-6-7-8-9-12-24-17(23)15-13-14(19)10-11-16(15)18(20,21)22/h10-11,13H,2-9,12H2,1H3 |
| InChIKey | QPWCSQRQOKARHR-UHFFFAOYSA-N |
| Molecular Weight | 348.382 g/mol |
| SMILES | C(COC(C1=C(C=CC(=C1)F)C(F)(F)F)=O)CCCCCCCC |