| SpectraBase Compound ID | LRo6hmLzKJG |
|---|---|
| InChI | InChI=1S/C16H19F3O2/c1-3-4-5-6-9-12(2)21-15(20)13-10-7-8-11-14(13)16(17,18)19/h6-12H,3-5H2,1-2H3/b9-6+ |
| InChIKey | HSVKKFDNJAQXQX-RMKNXTFCSA-N |
| Mol Weight | 300.32 g/mol |
| Molecular Formula | C16H19F3O2 |
| Exact Mass | 300.133714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMWKxle2wxe |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.133714339 u |
| Formula | C16H19F3O2 |
| InChI | InChI=1S/C16H19F3O2/c1-3-4-5-6-9-12(2)21-15(20)13-10-7-8-11-14(13)16(17,18)19/h6-12H,3-5H2,1-2H3/b9-6+ |
| InChIKey | HSVKKFDNJAQXQX-RMKNXTFCSA-N |
| Molecular Weight | 300.321 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC(C)\C=C\CCCC)C(F)(F)F |