| SpectraBase Compound ID | 7lXScwa6DVJ |
|---|---|
| InChI | InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h4-10,13-20H2,1-3H3 |
| InChIKey | AANYKQDEQYHVLS-UHFFFAOYSA-N |
| Mol Weight | 333.6 g/mol |
| Molecular Formula | C22H39NO |
| Exact Mass | 333.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HHEBgiZSXiS |
|---|---|
| Name | Octadec-9-ynoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.303164879 u |
| Formula | C22H39NO |
| InChI | InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h4-10,13-20H2,1-3H3 |
| InChIKey | AANYKQDEQYHVLS-UHFFFAOYSA-N |
| Molecular Weight | 333.560 g/mol |
| SMILES | C(CC1=NC(C)(C)CO1)CCCCCC#CCCCCCCCC |