| SpectraBase Compound ID | 8umEQDezs4c |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-18(5-2,16(19)21-6-3)17(20)22-14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3 |
| InChIKey | POMWAAUAKUJFNG-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 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 | 9UXd6EILDd4 |
|---|---|
| Name | Diethylmalonic acid, ethyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-18(5-2,16(19)21-6-3)17(20)22-14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3 |
| InChIKey | POMWAAUAKUJFNG-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC |