![(E)-Methyl 3-(2-{2-[N-(N'-tert-butylformimidoyl)-2-piperidyl]ethyl}phenyl)propenoate](/api/spectrum/1kyqyU2XG0r/structure.png?h=300&w=458 "(E)-Methyl 3-(2-{2-[N-(N'-tert-butylformimidoyl)-2-piperidyl]ethyl}phenyl)propenoate")
| SpectraBase Compound ID | IORuGk2B1qL |
|---|---|
| InChI | InChI=1S/C22H32N2O2/c1-22(2,3)23-17-24-16-8-7-11-20(24)14-12-18-9-5-6-10-19(18)13-15-21(25)26-4/h5-6,9-10,13,15,17,20H,7-8,11-12,14,16H2,1-4H3/b15-13+,23-17+ |
| InChIKey | ZEJRSEOCKZZFPP-LRXQLKOGSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C22H32N2O2 |
| Exact Mass | 356.246378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kyqyU2XG0r |
|---|---|
| Name | (E)-Methyl 3-(2-{2-[N-(N'-tert-butylformimidoyl)-2-piperidyl]ethyl}phenyl)propenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.246378276 u |
| Formula | C22H32N2O2 |
| InChI | InChI=1S/C22H32N2O2/c1-22(2,3)23-17-24-16-8-7-11-20(24)14-12-18-9-5-6-10-19(18)13-15-21(25)26-4/h5-6,9-10,13,15,17,20H,7-8,11-12,14,16H2,1-4H3/b15-13+,23-17+ |
| InChIKey | ZEJRSEOCKZZFPP-LRXQLKOGSA-N |
| Molecular Weight | 356.510 g/mol |
| SMILES | C(\N=C\N1C(CCC=2C(\C=C\C(=O)OC)=CC=CC2)CCCC1)(C)(C)C |