| SpectraBase Compound ID | 89IznaUXe5P |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-5-8-9-10-11-12-15-18(4)24-20(22)16-13-17-21(23)25-19(7-3)14-6-2/h6-7,18-19H,2-3,5,8-17H2,1,4H3 |
| InChIKey | ZMUXMDKSSHQVIH-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 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 | JVdDbkOkN9U |
|---|---|
| Name | Glutaric acid, hexa-1,5-dien-3-yl dec-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-5-8-9-10-11-12-15-18(4)24-20(22)16-13-17-21(23)25-19(7-3)14-6-2/h6-7,18-19H,2-3,5,8-17H2,1,4H3 |
| InChIKey | ZMUXMDKSSHQVIH-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OC(C=C)CC=C)=O |