![Propanedioic acid, methyl[4-(2-methylpropyl)phenyl]-, diethyl ester](/api/spectrum/Cxlv4bD9pmM/structure.png?h=300&w=458 "Propanedioic acid, methyl[4-(2-methylpropyl)phenyl]-, diethyl ester")
| SpectraBase Compound ID | 3zWEPldWdVQ |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-6-21-16(19)18(5,17(20)22-7-2)15-10-8-14(9-11-15)12-13(3)4/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | FYHWANSPTNLYKZ-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 | Cxlv4bD9pmM |
|---|---|
| Name | Propanedioic acid, methyl[4-(2-methylpropyl)phenyl]-, 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/c1-6-21-16(19)18(5,17(20)22-7-2)15-10-8-14(9-11-15)12-13(3)4/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | FYHWANSPTNLYKZ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)(C=1C=CC(=CC1)CC(C)C)C |