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threo-2,3-di(p-cumenyl)-6,6-dimethyl-5-oxoheptanoic acid
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4b9c6K04JwW
Name threo-2,3-DI(p-CUMENYL)-6,6-DIMETHYL-5-OXOHEPTANOIC ACID
Source of Sample L. Fisnerova, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 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
Melting Point 175-177C
Molecular Weight 408.59
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HEPTANOIC ACID, 2,3-DI/P-CUMENYL/- 6,6-DIMETHYL-5-OXO-, threo-,