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threo-6,6-dimethyl-2-(p-isobutylphenyl)-5-oxo-3-phenylheptanoic acid
SpectraBase Compound ID 8uUeTeqCfan
InChI InChI=1S/C25H32O3/c1-17(2)15-18-11-13-20(14-12-18)23(24(27)28)21(16-22(26)25(3,4)5)19-9-7-6-8-10-19/h6-14,17,21,23H,15-16H2,1-5H3,(H,27,28)/t21-,23-/s2
InChIKey CYXLLGGWJCKEDA-HLOJJTHLSA-N
Mol Weight 380.5 g/mol
Molecular Formula C25H32O3
Exact Mass 380.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CnMIjKNF4rQ
Name threo-6,6-DIMETHYL-2-(p-ISOBUTYLPHENYL)-5-OXO-3-PHENYLHEPTANOIC 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 C25H32O3
InChI InChI=1S/C25H32O3/c1-17(2)15-18-11-13-20(14-12-18)23(24(27)28)21(16-22(26)25(3,4)5)19-9-7-6-8-10-19/h6-14,17,21,23H,15-16H2,1-5H3,(H,27,28)/t21-,23-/s2
InChIKey CYXLLGGWJCKEDA-HLOJJTHLSA-N
Melting Point 203-204C
Molecular Weight 380.53
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HEPTANOIC ACID, 6,6-DIMETHYL- 2-/P-ISOBUTYLPHENYL/-5-OXO-3-PHENYL-, threo-,