| SpectraBase Compound ID | CeR91QhbyoJ |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h5-8H,3-4,9-20H2,1-2H3/b7-5+,8-6+ |
| InChIKey | OVBNTYMBVVPECU-KQQUZDAGSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5O2ygOkBzvR |
|---|---|
| Name | Sebacic acid, di(trans-3-hexenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h5-8H,3-4,9-20H2,1-2H3/b7-5+,8-6+ |
| InChIKey | OVBNTYMBVVPECU-KQQUZDAGSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | CC\C=C\CCOC(CCCCCCCCC(OCC\C=C\CC)=O)=O |