| SpectraBase Compound ID | I725RNyjNd8 |
|---|---|
| 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/h5-6,8-9H,4,7,10-20H2,1-3H3/b6-5-,9-8- |
| InChIKey | QQYYPLQYOMFKMU-AFJQJTPPSA-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 | 5dO5nbmlPPT |
|---|---|
| Name | 12,15-Octadecadienoic 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/h5-6,8-9H,4,7,10-20H2,1-3H3/b6-5-,9-8- |
| InChIKey | QQYYPLQYOMFKMU-AFJQJTPPSA-N |
| Molecular Weight | 333.560 g/mol |
| SMILES | C=1(CCCCCCCCCC\C=C/C\C=C/CC)OCC(N1)(C)C |