| SpectraBase Compound ID | FCJIKOvTgmj |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-30-26(28)24-27(29)31-25(3)22-20-18-11-9-7-5-2/h25H,4-24H2,1-3H3 |
| InChIKey | CQIFEOMUYGLTLT-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 | LNyueaW6GWR |
|---|---|
| Name | Malonic acid, 2-decyl 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/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-30-26(28)24-27(29)31-25(3)22-20-18-11-9-7-5-2/h25H,4-24H2,1-3H3 |
| InChIKey | CQIFEOMUYGLTLT-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(C(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCCCCCC)=O |