| SpectraBase Compound ID | JmY3JXkzF96 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-3-5-6-7-10-16-23-19(21)14-11-15-20(22)24-18-13-9-8-12-17(18)4-2/h8-9,12-13H,3-7,10-11,14-16H2,1-2H3 |
| InChIKey | XLDHFFDLOGHBQF-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 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 | AWEfYR7ukKy |
|---|---|
| Name | Glutaric acid, 2-ethylphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-3-5-6-7-10-16-23-19(21)14-11-15-20(22)24-18-13-9-8-12-17(18)4-2/h8-9,12-13H,3-7,10-11,14-16H2,1-2H3 |
| InChIKey | XLDHFFDLOGHBQF-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCCCCCCOC(CCCC(OC1=CC=CC=C1CC)=O)=O |