| SpectraBase Compound ID | EX4VBlXDocj |
|---|---|
| InChI | InChI=1S/C21H27NO4/c1-15(2)26-21-19(24-4)12-17(13-20(21)25-5)10-11-22-14-16-6-8-18(23-3)9-7-16/h6-9,12-15H,10-11H2,1-5H3/b22-14+ |
| InChIKey | MPTPFJLNEXWQOL-HYARGMPZSA-N |
| Mol Weight | 357.45 g/mol |
| Molecular Formula | C21H27NO4 |
| Exact Mass | 357.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSC2skkVvJD |
|---|---|
| Name | ip N-(4-Methoxybenzyl)-A (-2H) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.194008349 u |
| Formula | C21H27NO4 |
| InChI | InChI=1S/C21H27NO4/c1-15(2)26-21-19(24-4)12-17(13-20(21)25-5)10-11-22-14-16-6-8-18(23-3)9-7-16/h6-9,12-15H,10-11H2,1-5H3/b22-14+ |
| InChIKey | MPTPFJLNEXWQOL-HYARGMPZSA-N |
| Molecular Weight | 357.450 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC\N=C\C1=CC=C(C=C1)OC)OC)OC(C)C |