| SpectraBase Compound ID | GG02COeb2e |
|---|---|
| InChI | InChI=1S/C19H25F3O2/c1-2-3-4-5-6-7-8-9-10-14-24-18(23)16-12-11-13-17(15-16)19(20,21)22/h2,11-13,15H,1,3-10,14H2 |
| InChIKey | CDTBYWQUESBABE-UHFFFAOYSA-N |
| Mol Weight | 342.4 g/mol |
| Molecular Formula | C19H25F3O2 |
| Exact Mass | 342.180665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtLzEvK8vzk |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid,10-undecenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.180664532 u |
| Formula | C19H25F3O2 |
| InChI | InChI=1S/C19H25F3O2/c1-2-3-4-5-6-7-8-9-10-14-24-18(23)16-12-11-13-17(15-16)19(20,21)22/h2,11-13,15H,1,3-10,14H2 |
| InChIKey | CDTBYWQUESBABE-UHFFFAOYSA-N |
| Molecular Weight | 342.402 g/mol |
| SMILES | C(CC=C)CCCCCCCOC(=O)C=1C=CC=C(C(F)(F)F)C1 |