| SpectraBase Compound ID | IWPFD8mdAPB |
|---|---|
| InChI | InChI=1S/C28H43NO3/c1-6-8-13-17-29(18-14-9-7-2)23(3)19-26-27(30-4)20-25(21-28(26)31-5)32-22-24-15-11-10-12-16-24/h10-12,15-16,20-21,23H,6-9,13-14,17-19,22H2,1-5H3 |
| InChIKey | CLJDIVIXSWVDTJ-UHFFFAOYSA-N |
| Mol Weight | 441.7 g/mol |
| Molecular Formula | C28H43NO3 |
| Exact Mass | 441.324294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hfi6wt07Yww |
|---|---|
| Name | psi-Mbnm 2pe |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 441.324294246 u |
| Formula | C28H43NO3 |
| InChI | InChI=1S/C28H43NO3/c1-6-8-13-17-29(18-14-9-7-2)23(3)19-26-27(30-4)20-25(21-28(26)31-5)32-22-24-15-11-10-12-16-24/h10-12,15-16,20-21,23H,6-9,13-14,17-19,22H2,1-5H3 |
| InChIKey | CLJDIVIXSWVDTJ-UHFFFAOYSA-N |
| Molecular Weight | 441.656 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)OCC1=CC=CC=C1)OC)CC(N(CCCCC)CCCCC)C |