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erythro-4-benzoyl-3-(p-(dimethylamino)phenyl]-2-(p-isobutylphenyl)butyric acid
SpectraBase Compound ID 756T8axY2LT
InChI InChI=1S/C29H33NO3/c1-20(2)18-21-10-12-24(13-11-21)28(29(32)33)26(19-27(31)23-8-6-5-7-9-23)22-14-16-25(17-15-22)30(3)4/h5-17,20,26,28H,18-19H2,1-4H3,(H,32,33)/t26-,28+/s2
InChIKey CFTVAIWSWBVPGD-HQOMKSGISA-N
Mol Weight 443.6 g/mol
Molecular Formula C29H33NO3
Exact Mass 443.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJ6NCpDhcWD
Name erythro-4-BENZOYL-3-[p-(DIMETHYLAMINO)PHENYL]-2-(p-ISOBUTYLPHENYL)BUTYRIC ACID
Source of Sample L. Fisnerova, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33NO3
InChI InChI=1S/C29H33NO3/c1-20(2)18-21-10-12-24(13-11-21)28(29(32)33)26(19-27(31)23-8-6-5-7-9-23)22-14-16-25(17-15-22)30(3)4/h5-17,20,26,28H,18-19H2,1-4H3,(H,32,33)/t26-,28+/s2
InChIKey CFTVAIWSWBVPGD-HQOMKSGISA-N
Melting Point 207-208C
Molecular Weight 443.59
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTYRIC ACID, 4-BENZOYL-3-/P-/DIMETHYLAMINO/PHENYL/-2-/P-ISOBUTYLPHENYL/-, erythro-,