| SpectraBase Compound ID | 8mwTzEIQGua |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-6-18(7-2,16(19)21-8-3)17(20)22-15-12-10-9-11-14(15)13(4)5/h9-13H,6-8H2,1-5H3 |
| InChIKey | ISUOTBCDLNJIKO-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 | 1V43nDgQhgR |
|---|---|
| Name | Diethylmalonic acid, ethyl 2-isopropylphenyl 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/c1-6-18(7-2,16(19)21-8-3)17(20)22-15-12-10-9-11-14(15)13(4)5/h9-13H,6-8H2,1-5H3 |
| InChIKey | ISUOTBCDLNJIKO-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC=1C(C(C)C)=CC=CC1)=O)CC |