| SpectraBase Compound ID | 9tfSpQSqQVG |
|---|---|
| InChI | InChI=1S/C27H36O3/c1-17(2)19-8-12-21(13-9-19)23(16-24(28)27(5,6)7)25(26(29)30)22-14-10-20(11-15-22)18(3)4/h8-15,17-18,23,25H,16H2,1-7H3,(H,29,30)/t23-,25-/s2 |
| InChIKey | MRLVSROGMCKZNR-CHJWJPBESA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C27H36O3 |
| Exact Mass | 408.266445 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4EpILZNt8M2 |
|---|---|
| Name | threo-2,3-di(p-cumenyl)-6,6-dimethyl-5-oxoheptanoic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O3 |
| InChI | InChI=1S/C27H36O3/c1-17(2)19-8-12-21(13-9-19)23(16-24(28)27(5,6)7)25(26(29)30)22-14-10-20(11-15-22)18(3)4/h8-15,17-18,23,25H,16H2,1-7H3,(H,29,30)/t23-,25-/s2 |
| InChIKey | MRLVSROGMCKZNR-CHJWJPBESA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 28787M |
| Solvent | CDCl3 |