| SpectraBase Compound ID | DOek8xndeFE |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-5-13-21-16(19)18(2,3)17(20)22-14-9-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3 |
| InChIKey | IGLQCEOLMBDNKO-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 | GKR6X6vURPj |
|---|---|
| Name | Dimethylmalonic acid, butyl 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/c1-4-5-13-21-16(19)18(2,3)17(20)22-14-9-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3 |
| InChIKey | IGLQCEOLMBDNKO-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O |