| SpectraBase Compound ID | 8ZPzuWRmQPr |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-3-5-6-7-10-13-16-20-26-22(24)18-15-12-9-8-11-14-17-21(23)25-19-4-2/h10,13H,3-9,11-12,14-20H2,1-2H3/b13-10- |
| InChIKey | ZEHZMBAWBZAAIX-RAXLEYEMSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1nyELPraGUC |
|---|---|
| Name | Sebacic acid, cis-non-3-enyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-3-5-6-7-10-13-16-20-26-22(24)18-15-12-9-8-11-14-17-21(23)25-19-4-2/h10,13H,3-9,11-12,14-20H2,1-2H3/b13-10- |
| InChIKey | ZEHZMBAWBZAAIX-RAXLEYEMSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCCCC(OCC\C=C/CCCCC)=O)CCCC(OCCC)=O |