| SpectraBase Compound ID | HaKhSdPx7rM |
|---|---|
| InChI | InChI=1S/C22H39NO/c1-22(2)19-24-21(23-22)18-12-10-8-6-4-3-5-7-9-11-15-20-16-13-14-17-20/h13,16,20H,3-12,14-15,17-19H2,1-2H3 |
| InChIKey | IKFBFTUIANHMSZ-UHFFFAOYSA-N |
| Mol Weight | 333.6 g/mol |
| Molecular Formula | C22H39NO |
| Exact Mass | 333.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEKOSuSuU48 |
|---|---|
| Name | 13-Cyclopent-2-enyltridecanoic 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/c1-22(2)19-24-21(23-22)18-12-10-8-6-4-3-5-7-9-11-15-20-16-13-14-17-20/h13,16,20H,3-12,14-15,17-19H2,1-2H3 |
| InChIKey | IKFBFTUIANHMSZ-UHFFFAOYSA-N |
| Molecular Weight | 333.560 g/mol |
| SMILES | C1(C=CCC1)CCCCCCCCCCCCC=1OCC(N1)(C)C |