| SpectraBase Compound ID | KM0rPjUOihM |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-5-7-8-9-10-11-12-13-17-24-20(22)15-14-16-21(23)25-19(6-2)18(3)4/h5,18-19H,1,6-17H2,2-4H3 |
| InChIKey | VNCWHZAIEGKVGZ-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 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 | 6OSvcfEfIEa |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl dec-9-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-5-7-8-9-10-11-12-13-17-24-20(22)15-14-16-21(23)25-19(6-2)18(3)4/h5,18-19H,1,6-17H2,2-4H3 |
| InChIKey | VNCWHZAIEGKVGZ-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OCCCCCCCCC=C)=O |