| SpectraBase Compound ID | GBBKfTds20P |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-6-15-11-9-10-12-16(15)23-18(21)19(7-2,8-3)17(20)22-13-14(4)5/h9-12,14H,6-8,13H2,1-5H3 |
| InChIKey | SNLBEGHOIVNXKC-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96G41R0LAt7 |
|---|---|
| Name | Diethylmalonic acid, 2-ethylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-6-15-11-9-10-12-16(15)23-18(21)19(7-2,8-3)17(20)22-13-14(4)5/h9-12,14H,6-8,13H2,1-5H3 |
| InChIKey | SNLBEGHOIVNXKC-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1)CC)=O)CC |