| SpectraBase Compound ID | 9gQz6sv0rRJ |
|---|---|
| InChI | InChI=1S/C18H25F3O2/c1-2-3-4-5-6-7-8-9-13-23-17(22)15-11-10-12-16(14-15)18(19,20)21/h10-12,14H,2-9,13H2,1H3 |
| InChIKey | QQEZOVCNXVKJNG-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 | CqVI3kHHpcl |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, decyl 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/c1-2-3-4-5-6-7-8-9-13-23-17(22)15-11-10-12-16(14-15)18(19,20)21/h10-12,14H,2-9,13H2,1H3 |
| InChIKey | QQEZOVCNXVKJNG-UHFFFAOYSA-N |
| Molecular Weight | 330.391 g/mol |
| SMILES | C(CCCCCCCOC(=O)C=1C=CC=C(C(F)(F)F)C1)CC |