| SpectraBase Compound ID | 2iSyIlCfTZe |
|---|---|
| InChI | InChI=1S/C19H19F3N2/c1-13(9-14-5-6-18-16(10-14)7-8-23-18)24-12-15-3-2-4-17(11-15)19(20,21)22/h2-8,10-11,13,23-24H,9,12H2,1H3 |
| InChIKey | UJEXDYWDJMFMBN-UHFFFAOYSA-N |
| Mol Weight | 332.37 g/mol |
| Molecular Formula | C19H19F3N2 |
| Exact Mass | 332.150033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yQpQtmzPjG |
|---|---|
| Name | 5-api N-(3-Trifluoromethylbenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.150033109 u |
| Formula | C19H19F3N2 |
| InChI | InChI=1S/C19H19F3N2/c1-13(9-14-5-6-18-16(10-14)7-8-23-18)24-12-15-3-2-4-17(11-15)19(20,21)22/h2-8,10-11,13,23-24H,9,12H2,1H3 |
| InChIKey | UJEXDYWDJMFMBN-UHFFFAOYSA-N |
| Molecular Weight | 332.370 g/mol |
| SMILES | C12=C(NC=C2)C=CC(=C1)CC(NCC=1C=C(C(F)(F)F)C=CC1)C |