| SpectraBase Compound ID | 3lhxYkFWzao |
|---|---|
| InChI | InChI=1S/C16H22F3NO/c1-4-5-6-8-12(2)20(3)15(21)13-9-7-10-14(11-13)16(17,18)19/h7,9-12H,4-6,8H2,1-3H3 |
| InChIKey | UQVPFWGXXKRUSF-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 | 5cqDVaJLRzl |
|---|---|
| Name | Benzamide, 3-trifluoromethyl-N-methyl-N-(hept-2-yl)- |
| 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/c1-4-5-6-8-12(2)20(3)15(21)13-9-7-10-14(11-13)16(17,18)19/h7,9-12H,4-6,8H2,1-3H3 |
| InChIKey | UQVPFWGXXKRUSF-UHFFFAOYSA-N |
| Molecular Weight | 301.353 g/mol |
| SMILES | C(=O)(N(C(CCCCC)C)C)C=1C=C(C=CC1)C(F)(F)F |