| SpectraBase Compound ID | KWpavevUWW6 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-6-12-21-16(19)18(7-2,8-3)17(20)22-15-11-9-10-13(4)14(15)5/h9-11H,6-8,12H2,1-5H3 |
| InChIKey | JNYRZXYWJMQSEI-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3uqhOZW1jZ |
|---|---|
| Name | Diethylmalonic acid, 2,3-dimethylphenyl propyl 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/c1-6-12-21-16(19)18(7-2,8-3)17(20)22-15-11-9-10-13(4)14(15)5/h9-11H,6-8,12H2,1-5H3 |
| InChIKey | JNYRZXYWJMQSEI-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC1=CC=CC(C)=C1C)=O)CC |