| SpectraBase Compound ID | 8bDtf1ZN9Dp |
|---|---|
| InChI | InChI=1S/C17H19F3O2/c1-4-5-9-15(10-12(2)3)22-16(21)13-7-6-8-14(11-13)17(18,19)20/h6-8,11-12,15H,4,10H2,1-3H3 |
| InChIKey | UGULVPZUNSSSBY-UHFFFAOYSA-N |
| Mol Weight | 312.33 g/mol |
| Molecular Formula | C17H19F3O2 |
| Exact Mass | 312.133714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ATlZBVTBx7 |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.133714339 u |
| Formula | C17H19F3O2 |
| InChI | InChI=1S/C17H19F3O2/c1-4-5-9-15(10-12(2)3)22-16(21)13-7-6-8-14(11-13)17(18,19)20/h6-8,11-12,15H,4,10H2,1-3H3 |
| InChIKey | UGULVPZUNSSSBY-UHFFFAOYSA-N |
| Molecular Weight | 312.332 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC(C#CCC)CC(C)C)=O)C(F)(F)F |