| SpectraBase Compound ID | 95SaDfJ95Sh |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-6-9-10-11-12-13-14-15-16-17-18-26-21(24)23(7-2,8-3)22(25)27-19-20(4)5/h20H,6-19H2,1-5H3 |
| InChIKey | FZHYAQDGTFZPAA-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ECanq8lpD2w |
|---|---|
| Name | Diethylmalonic acid, dodecyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-6-9-10-11-12-13-14-15-16-17-18-26-21(24)23(7-2,8-3)22(25)27-19-20(4)5/h20H,6-19H2,1-5H3 |
| InChIKey | FZHYAQDGTFZPAA-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCCC)=O)(C(OCC(C)C)=O)CC)C |