| SpectraBase Compound ID | yfDRlMzX46 |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-6-11-12-13-14-15-16-17-18-19-20-23-30-25(28)27(9-4,10-5)26(29)31-24(21-7-2)22-8-3/h24H,6-23H2,1-5H3 |
| InChIKey | ACARYPUKMCCWNB-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 | LwujRguDIUu |
|---|---|
| Name | Diethylmalonic acid, hept-4-yl tridecyl 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/c1-6-11-12-13-14-15-16-17-18-19-20-23-30-25(28)27(9-4,10-5)26(29)31-24(21-7-2)22-8-3/h24H,6-23H2,1-5H3 |
| InChIKey | ACARYPUKMCCWNB-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC)C |