| SpectraBase Compound ID | EUgC7HMuNvS |
|---|---|
| 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/h9-10H,4-8,11-19H2,1-3H3/b10-9- |
| InChIKey | HMKQVZSFQFGNGC-KTKRTIGZSA-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 | E5p6WNU5dTA |
|---|---|
| Name | cis-10-Heptadecenoic acid, 4,4-dimethyloxazoline (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/h9-10H,4-8,11-19H2,1-3H3/b10-9- |
| InChIKey | HMKQVZSFQFGNGC-KTKRTIGZSA-N |
| Molecular Weight | 321.549 g/mol |
| SMILES | C1(=NC(C)(C)CO1)CCCCCCCC\C=C/CCCCCC |