| SpectraBase Compound ID | 8CsUcjhi5xp |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-4-6-8-13-22(14-9-7-5-2)18(3)16-19-10-11-21-20(17-19)12-15-23-21/h10-11,17-18H,4-9,12-16H2,1-3H3 |
| InChIKey | GQOIIUWZDFQCBW-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PbP78rSXgB |
|---|---|
| Name | 5-Apdb 2pe |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-4-6-8-13-22(14-9-7-5-2)18(3)16-19-10-11-21-20(17-19)12-15-23-21/h10-11,17-18H,4-9,12-16H2,1-3H3 |
| InChIKey | GQOIIUWZDFQCBW-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C1=2C(=CC(CC(N(CCCCC)CCCCC)C)=CC2)CCO1 |