| SpectraBase Compound ID | 3FcfuuvrlHO |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-7-11-12-13-14-15-16-17-18-26-21(24)23(9-3,10-4)22(25)27-20(8-2)19(5)6/h19-20H,7-18H2,1-6H3 |
| InChIKey | VXNAMZMONADARI-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMjNcfbhXRC |
|---|---|
| Name | Diethylmalonic acid, decyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-7-11-12-13-14-15-16-17-18-26-21(24)23(9-3,10-4)22(25)27-20(8-2)19(5)6/h19-20H,7-18H2,1-6H3 |
| InChIKey | VXNAMZMONADARI-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(C(C(OCCCCCCCCCC)=O)(CC)CC)(OC(C(C)C)CC)=O |