| SpectraBase Compound ID | Eyc8p3omoPF |
|---|---|
| InChI | InChI=1S/C16H22F3NO/c1-3-5-7-12(4-2)11-20-15(21)13-8-6-9-14(10-13)16(17,18)19/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,20,21) |
| InChIKey | GADDDIKIFFLUJX-UHFFFAOYSA-N |
| Mol Weight | 301.35 g/mol |
| Molecular Formula | C16H22F3NO |
| Exact Mass | 301.165349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8LLit3L8Wv |
|---|---|
| Name | Benzamide, 3-(trifluoromethyl)-N-(2-ethylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.165348820 u |
| Formula | C16H22F3NO |
| InChI | InChI=1S/C16H22F3NO/c1-3-5-7-12(4-2)11-20-15(21)13-8-6-9-14(10-13)16(17,18)19/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,20,21) |
| InChIKey | GADDDIKIFFLUJX-UHFFFAOYSA-N |
| Molecular Weight | 301.353 g/mol |
| SMILES | C(NCC(CCCC)CC)(=O)C=1C=CC=C(C(F)(F)F)C1 |