| SpectraBase Compound ID | DizFaJpVSJL |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-5-18-26-22(24)15-10-8-6-7-9-11-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h13,17H,5-12,14-16,18-19H2,1-4H3/b21-17+ |
| InChIKey | NHDOBNIBFGIIHE-HEHNFIMWSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uiNa1JNrEm |
|---|---|
| Name | Sebacic acid, geranyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-5-18-26-22(24)15-10-8-6-7-9-11-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h13,17H,5-12,14-16,18-19H2,1-4H3/b21-17+ |
| InChIKey | NHDOBNIBFGIIHE-HEHNFIMWSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(CCCCC(OC\C=C/(C)CCC=C(C)C)=O)CCCC(OCCC)=O |