| SpectraBase Compound ID | GGXc04SRTNx |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-15(2)17(5)23-19(21)13-11-9-7-8-10-12-14-20(22)24-18(6)16(3)4/h15-18H,7-14H2,1-6H3 |
| InChIKey | VICGIZKYAQUCEN-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QXpaL6gs8j |
|---|---|
| Name | Sebacic acid, di(3-methylbut-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-15(2)17(5)23-19(21)13-11-9-7-8-10-12-14-20(22)24-18(6)16(3)4/h15-18H,7-14H2,1-6H3 |
| InChIKey | VICGIZKYAQUCEN-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(C(OC(C(C)C)C)=O)CCCCCCCC(OC(C(C)C)C)=O |