| SpectraBase Compound ID | INkq1Y8evHi |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-18(2)11-10-12-20(5)15-16-26-22(24)13-8-7-9-14-23(25)27-21(6)17-19(3)4/h18-21H,7-17H2,1-6H3 |
| InChIKey | TTZQTCFUANRIIV-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 | DEmTafAm8j0 |
|---|---|
| Name | Pimelic acid, 3,7-dimethyloctyl 4-methyl-2-pentyl 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/c1-18(2)11-10-12-20(5)15-16-26-22(24)13-8-7-9-14-23(25)27-21(6)17-19(3)4/h18-21H,7-17H2,1-6H3 |
| InChIKey | TTZQTCFUANRIIV-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(OCCC(C)CCCC(C)C)(=O)CCCCCC(OC(CC(C)C)C)=O |