| SpectraBase Compound ID | C3q7oTemqzR |
|---|---|
| InChI | InChI=1S/C30H58O4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-34-29(32)30(3,4)28(31)33-26-24-22-10-8-6-2/h5-27H2,1-4H3 |
| InChIKey | NCTIMTRLWQZENJ-UHFFFAOYSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C30H58O4 |
| Exact Mass | 482.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KfnZAfgJDe |
|---|---|
| Name | Dimethylmalonic acid, heptyl octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.433510344 u |
| Formula | C30H58O4 |
| InChI | InChI=1S/C30H58O4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-34-29(32)30(3,4)28(31)33-26-24-22-10-8-6-2/h5-27H2,1-4H3 |
| InChIKey | NCTIMTRLWQZENJ-UHFFFAOYSA-N |
| Molecular Weight | 482.790 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCOC(C(C(=O)OCCCCCCC)(C)C)=O |