| SpectraBase Compound ID | 87MSBKVu17Q |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-7-11-15-23-18(21)20(5-2,6-3)19(22)24-16-14-17-12-9-8-10-13-17/h8-10,12-13H,4-7,11,14-16H2,1-3H3 |
| InChIKey | VIAOVMFLCASKOM-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 | 2wGFiaL3O6x |
|---|---|
| Name | Diethylmalonic acid, pentyl phenethyl 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/c1-4-7-11-15-23-18(21)20(5-2,6-3)19(22)24-16-14-17-12-9-8-10-13-17/h8-10,12-13H,4-7,11,14-16H2,1-3H3 |
| InChIKey | VIAOVMFLCASKOM-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OCCC1=CC=CC=C1)=O)CC |