| SpectraBase Compound ID | 2RABcv2u5ke |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-6-11-12-13-14-15-16-17-18-21-28-23(26)25(9-4,10-5)24(27)29-22(19-7-2)20-8-3/h22H,6-21H2,1-5H3 |
| InChIKey | CFKHMKXJPIHOLS-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KolNDVeFEf2 |
|---|---|
| Name | Diethylmalonic acid, hept-4-yl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-6-11-12-13-14-15-16-17-18-21-28-23(26)25(9-4,10-5)24(27)29-22(19-7-2)20-8-3/h22H,6-21H2,1-5H3 |
| InChIKey | CFKHMKXJPIHOLS-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC)C |