| SpectraBase Compound ID | JwbrlwVPvYR |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-6-10-12-13-14-15-16-17-18-19-20-21-23-30-25(28)27(8-3,9-4)26(29)31-24(5)22-11-7-2/h24H,6-23H2,1-5H3 |
| InChIKey | ZSVDYLHQJNKVOI-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cahue2bSmwd |
|---|---|
| Name | Diethylmalonic acid, 2-hexyl tetradecyl 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/c1-6-10-12-13-14-15-16-17-18-19-20-21-23-30-25(28)27(8-3,9-4)26(29)31-24(5)22-11-7-2/h24H,6-23H2,1-5H3 |
| InChIKey | ZSVDYLHQJNKVOI-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C)CCCC)=O |