| SpectraBase Compound ID | FopjQjo2flV |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-5-8-9-10-11-12-13-18-26-21(24)23(6-2,7-3)22(25)27-20-16-14-19(4)15-17-20/h19-20H,5-18H2,1-4H3 |
| InChIKey | NKZMRFYKODCUDD-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 | JJcRJVSv4rt |
|---|---|
| Name | Diethylmalonic acid, 4-methylcyclohexyl nonyl 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/c1-5-8-9-10-11-12-13-18-26-21(24)23(6-2,7-3)22(25)27-20-16-14-19(4)15-17-20/h19-20H,5-18H2,1-4H3 |
| InChIKey | NKZMRFYKODCUDD-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(COC(=O)C(C(OC1CCC(C)CC1)=O)(CC)CC)CCCCCCC |