| SpectraBase Compound ID | NfBZ1nC3Mu |
|---|---|
| InChI | InChI=1S/C18H23F3O2/c1-3-5-7-14(4-2)13-23-17(22)11-10-15-8-6-9-16(12-15)18(19,20)21/h6,8-12,14H,3-5,7,13H2,1-2H3/b11-10+ |
| InChIKey | JSESXJCJYLRASK-ZHACJKMWSA-N |
| Mol Weight | 328.38 g/mol |
| Molecular Formula | C18H23F3O2 |
| Exact Mass | 328.165014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPcUTf8YwD0 |
|---|---|
| Name | 3-Trifluoromethylcinnamic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.165014468 u |
| Formula | C18H23F3O2 |
| InChI | InChI=1S/C18H23F3O2/c1-3-5-7-14(4-2)13-23-17(22)11-10-15-8-6-9-16(12-15)18(19,20)21/h6,8-12,14H,3-5,7,13H2,1-2H3/b11-10+ |
| InChIKey | JSESXJCJYLRASK-ZHACJKMWSA-N |
| Molecular Weight | 328.375 g/mol |
| SMILES | C(OC(\C=C\C=1C=CC=C(C1)C(F)(F)F)=O)C(CCCC)CC |