| SpectraBase Compound ID | FsmzSeIiddj |
|---|---|
| InChI | InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h10-11H,4-9,12-19H2,1-3H3/b11-10- |
| InChIKey | IVFBACDJNNVFNJ-KHPPLWFESA-N |
| Mol Weight | 321.5 g/mol |
| Molecular Formula | C21H39NO |
| Exact Mass | 321.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bbYv38lU6N |
|---|---|
| Name | 9-Heptadecenoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.303164879 u |
| Formula | C21H39NO |
| InChI | InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h10-11H,4-9,12-19H2,1-3H3/b11-10- |
| InChIKey | IVFBACDJNNVFNJ-KHPPLWFESA-N |
| Molecular Weight | 321.549 g/mol |
| SMILES | C1(=NC(C)(C)CO1)CCCCCCC\C=C/CCCCCCC |