| SpectraBase Compound ID | L6FApktRMdj |
|---|---|
| InChI | InChI=1S/C21H24F3NO4/c1-14(11-15-9-10-18(28-3)19(12-15)29-4)25(20(26)21(22,23)24)13-16-7-5-6-8-17(16)27-2/h5-10,12,14H,11,13H2,1-4H3 |
| InChIKey | KYXUPNORHHQRSN-UHFFFAOYSA-N |
| Mol Weight | 411.42 g/mol |
| Molecular Formula | C21H24F3NO4 |
| Exact Mass | 411.165743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JoCjlr9N6f |
|---|---|
| Name | 3,4-dma-Nbome tfa P1482 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.165742742 u |
| Formula | C21H24F3NO4 |
| InChI | InChI=1S/C21H24F3NO4/c1-14(11-15-9-10-18(28-3)19(12-15)29-4)25(20(26)21(22,23)24)13-16-7-5-6-8-17(16)27-2/h5-10,12,14H,11,13H2,1-4H3 |
| InChIKey | KYXUPNORHHQRSN-UHFFFAOYSA-N |
| Molecular Weight | 411.421 g/mol |
| SMILES | C=1(OC)C=C(C=CC1OC)CC(N(CC1=C(C=CC=C1)OC)C(=O)C(F)(F)F)C |