| SpectraBase Compound ID | 90ATgXa3QX7 |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-18-26-21(24)23(3,4)22(25)27-20-16-14-19(2)15-17-20/h19-20H,5-18H2,1-4H3 |
| InChIKey | VZVVSRJDZXMHRK-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmAU3sXIDRU |
|---|---|
| Name | Dimethylmalonic acid, cis-4-methylcyclohexyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-18-26-21(24)23(3,4)22(25)27-20-16-14-19(2)15-17-20/h19-20H,5-18H2,1-4H3 |
| InChIKey | VZVVSRJDZXMHRK-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C1C(CCC(C1)OC(C(C(OCCCCCCCCCCC)=O)(C)C)=O)C |