| SpectraBase Compound ID | FL9ZvfmkeUl |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(7-2,8-3)26(29)31-23-24(4)5/h24H,6-23H2,1-5H3 |
| InChIKey | BBIIUNWCCHOALN-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AZeWhIHF32Y |
|---|---|
| Name | Diethylmalonic acid, hexadecyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.386560150 u |
| Formula | C27H52O4 |
| InChI | InChI=1S/C27H52O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(7-2,8-3)26(29)31-23-24(4)5/h24H,6-23H2,1-5H3 |
| InChIKey | BBIIUNWCCHOALN-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC(C)C)=O)CC |