| SpectraBase Compound ID | GU3GGwBHaFX |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-11-21-16(19)18(6-2,7-3)17(20)22-13-15-10-8-9-14(4)12-15/h8-10,12H,5-7,11,13H2,1-4H3 |
| InChIKey | LFTODDGBJXXCTJ-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 | JilWxQ0WXAe |
|---|---|
| Name | Diethylmalonic acid, 3-methylbenzyl propyl 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/c1-5-11-21-16(19)18(6-2,7-3)17(20)22-13-15-10-8-9-14(4)12-15/h8-10,12H,5-7,11,13H2,1-4H3 |
| InChIKey | LFTODDGBJXXCTJ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OCC=1C=C(C)C=CC1)=O)CC |