| SpectraBase Compound ID | D7YUbMcW7X6 |
|---|---|
| InChI | InChI=1S/C13H16F4N2O/c1-18(2)7-8-19(12(20)13(15,16)17)9-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3 |
| InChIKey | MTANQMOBDJSLKX-UHFFFAOYSA-N |
| Mol Weight | 292.28 g/mol |
| Molecular Formula | C13H16F4N2O |
| Exact Mass | 292.119876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Pb3tC4CmUF |
|---|---|
| Name | N1-(4-Fluorobenzyl)-N2,N2-dimethyl-1,2-ethanediamine, tfa derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.119875794 u |
| Formula | C13H16F4N2O |
| InChI | InChI=1S/C13H16F4N2O/c1-18(2)7-8-19(12(20)13(15,16)17)9-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3 |
| InChIKey | MTANQMOBDJSLKX-UHFFFAOYSA-N |
| Molecular Weight | 292.278 g/mol |
| SMILES | C1(F)=CC=C(C=C1)CN(CCN(C)C)C(C(F)(F)F)=O |