| SpectraBase Compound ID | 213OI0i4zOV |
|---|---|
| InChI | InChI=1S/C23H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-28-22(27)20-15-17-21(18-16-20)23(24,25)26/h15-18H,2-14,19H2,1H3 |
| InChIKey | IMKBRXCTTQEDCA-UHFFFAOYSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C23H35F3O2 |
| Exact Mass | 400.258915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Pj0NIfkh87 |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.258914854 u |
| Formula | C23H35F3O2 |
| InChI | InChI=1S/C23H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-28-22(27)20-15-17-21(18-16-20)23(24,25)26/h15-18H,2-14,19H2,1H3 |
| InChIKey | IMKBRXCTTQEDCA-UHFFFAOYSA-N |
| Molecular Weight | 400.526 g/mol |
| SMILES | CCCCCCCCCCCCCCCOC(=O)C1=CC=C(C(F)(F)F)C=C1 |