| SpectraBase Compound ID | jvKTdf05NG |
|---|---|
| InChI | InChI=1S/C16H22F3NO/c1-3-5-6-11-20(10-4-2)15(21)13-8-7-9-14(12-13)16(17,18)19/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | NGJLJFBBCUXSPV-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 | E1yWFro1pH6 |
|---|---|
| Name | Benzamide, 3-trifluoromethyl-N-propyl-N-pentyl- |
| 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/c1-3-5-6-11-20(10-4-2)15(21)13-8-7-9-14(12-13)16(17,18)19/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | NGJLJFBBCUXSPV-UHFFFAOYSA-N |
| Molecular Weight | 301.353 g/mol |
| SMILES | C(=O)(N(CCC)CCCCC)C=1C=CC=C(C(F)(F)F)C1 |