| SpectraBase Compound ID | DrBPdiNG6hX |
|---|---|
| InChI | InChI=1S/C21H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h10-11,14-15H,4-9,12-13,16-19H2,1-3H3/b11-10-,15-14- |
| InChIKey | XBVDEAPNMKALQA-JPTBNZNUSA-N |
| Mol Weight | 319.5 g/mol |
| Molecular Formula | C21H37NO |
| Exact Mass | 319.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrOC5G4Qvnt |
|---|---|
| Name | 5,9-Heptadecadienoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.287514814 u |
| Formula | C21H37NO |
| InChI | InChI=1S/C21H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h10-11,14-15H,4-9,12-13,16-19H2,1-3H3/b11-10-,15-14- |
| InChIKey | XBVDEAPNMKALQA-JPTBNZNUSA-N |
| Molecular Weight | 319.533 g/mol |
| SMILES | C1(=NC(C)(C)CO1)CCC\C=C/CC\C=C/CCCCCCC |