| SpectraBase Compound ID | IjWJH3sCxRx |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-7-13-15(14-11-9-8-10-12-14)16(17(19)21-5-2)18(20)22-6-3/h8-12,15-16H,4-7,13H2,1-3H3 |
| InChIKey | KVRXSCFFVPWRKR-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 | 5IyQv63EgVo |
|---|---|
| Name | 2-(1-Phenylpentyl)malonic acid diethyl 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/c1-4-7-13-15(14-11-9-8-10-12-14)16(17(19)21-5-2)18(20)22-6-3/h8-12,15-16H,4-7,13H2,1-3H3 |
| InChIKey | KVRXSCFFVPWRKR-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)C(C1=CC=CC=C1)CCCC |