| SpectraBase Compound ID | ANE7EKygZaN |
|---|---|
| InChI | InChI=1S/C17H19F7N2O2/c1-28-13-4-2-3-11(9-13)10-26-7-5-12(6-8-26)25-14(27)15(18,19)16(20,21)17(22,23)24/h2-4,9,12H,5-8,10H2,1H3,(H,25,27) |
| InChIKey | FWAJGBAXXYBEMD-UHFFFAOYSA-N |
| Mol Weight | 416.34 g/mol |
| Molecular Formula | C17H19F7N2O2 |
| Exact Mass | 416.133475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | y4MCwgeKhC |
|---|---|
| Name | 1-(3-Methoxybenzyl)-4-piperidinamine, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.133474999 u |
| Formula | C17H19F7N2O2 |
| InChI | InChI=1S/C17H19F7N2O2/c1-28-13-4-2-3-11(9-13)10-26-7-5-12(6-8-26)25-14(27)15(18,19)16(20,21)17(22,23)24/h2-4,9,12H,5-8,10H2,1H3,(H,25,27) |
| InChIKey | FWAJGBAXXYBEMD-UHFFFAOYSA-N |
| Molecular Weight | 416.340 g/mol |
| SMILES | C1N(CCC(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC1=CC(=CC=C1)OC |