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threo-3-(p-cumenyl)-6,6-dimethyl-2-(p-isobutylphenyl)-5-oxoheptanoic acid
SpectraBase Compound ID DE07pe8kJAy
InChI InChI=1S/C28H38O3/c1-18(2)16-20-8-10-23(11-9-20)26(27(30)31)24(17-25(29)28(5,6)7)22-14-12-21(13-15-22)19(3)4/h8-15,18-19,24,26H,16-17H2,1-7H3,(H,30,31)
InChIKey ASGYQRDKMUBWNQ-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C28H38O3
Exact Mass 422.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hx6mOuLy3fX
Name threo-3-(p-CUMENYL)-6,6-DIMETHYL-2-(p-ISOBUTYLPHENYL)-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 C28H38O3
InChI InChI=1S/C28H38O3/c1-18(2)16-20-8-10-23(11-9-20)26(27(30)31)24(17-25(29)28(5,6)7)22-14-12-21(13-15-22)19(3)4/h8-15,18-19,24,26H,16-17H2,1-7H3,(H,30,31)
InChIKey ASGYQRDKMUBWNQ-UHFFFAOYSA-N
Melting Point 158-159C
Molecular Weight 422.61
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HEPTANOIC ACID, 3-/P-CUMENYL/- 6,6-DIMETHYL-2-/P-ISOBUTYLPHENYL/- 5-OXO-, threo-,