| SpectraBase Compound ID | DS842LkIsk3 |
|---|---|
| InChI | InChI=1S/C18H25F3O2/c1-4-13(5-2)10-11-16(6-3)23-17(22)14-8-7-9-15(12-14)18(19,20)21/h7-9,12-13,16H,4-6,10-11H2,1-3H3 |
| InChIKey | UWEIOVKWSJTBOS-UHFFFAOYSA-N |
| Mol Weight | 330.39 g/mol |
| Molecular Formula | C18H25F3O2 |
| Exact Mass | 330.180665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qoysyvb54X |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.180664532 u |
| Formula | C18H25F3O2 |
| InChI | InChI=1S/C18H25F3O2/c1-4-13(5-2)10-11-16(6-3)23-17(22)14-8-7-9-15(12-14)18(19,20)21/h7-9,12-13,16H,4-6,10-11H2,1-3H3 |
| InChIKey | UWEIOVKWSJTBOS-UHFFFAOYSA-N |
| Molecular Weight | 330.391 g/mol |
| SMILES | C1=CC(C(OC(CC)CCC(CC)CC)=O)=CC(=C1)C(F)(F)F |