| SpectraBase Compound ID | 7iAMdpEBH0I |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-9-14-22-17(20)19(2,3)18(21)23-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3 |
| InChIKey | XLSRUFAIYJHDEG-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 | FuS9yqitfwl |
|---|---|
| Name | Dimethylmalonic acid, pentyl 3-phenylpropyl 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/c1-4-5-9-14-22-17(20)19(2,3)18(21)23-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3 |
| InChIKey | XLSRUFAIYJHDEG-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O |