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3,3,3-TRIS-(4-CHLOROPHENYL)-PROPIONIC-ACID-(2S*,3R*)-DIPHENYL-4-PENTENYLESTER
SpectraBase Compound ID CQHlvLsdaJE
InChI InChI=1S/C38H31Cl3O2/c1-3-35(27-10-6-4-7-11-27)37(2,28-12-8-5-9-13-28)43-36(42)26-38(29-14-20-32(39)21-15-29,30-16-22-33(40)23-17-30)31-18-24-34(41)25-19-31/h3-25,35H,1,26H2,2H3/t35-,37+/m0/s1
InChIKey IDANJHYNDRRSBF-YBZKQSBQSA-N
Mol Weight 626.0 g/mol
Molecular Formula C38H31Cl3O2
Exact Mass 624.138963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSwvSrGpO9J
Name 3,3,3-TRIS-(4-CHLOROPHENYL)-PROPIONIC-ACID-(2S*,3R*)-DIPHENYL-4-PENTENYLESTER
Compound Number 3AE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H31Cl3O2
InChI InChI=1S/C38H31Cl3O2/c1-3-35(27-10-6-4-7-11-27)37(2,28-12-8-5-9-13-28)43-36(42)26-38(29-14-20-32(39)21-15-29,30-16-22-33(40)23-17-30)31-18-24-34(41)25-19-31/h3-25,35H,1,26H2,2H3/t35-,37+/m0/s1
InChIKey IDANJHYNDRRSBF-YBZKQSBQSA-N
Literature Reference Author M.YASUDA,K.HIRATA,M.NISHINO,A.YAMAMOTO,A.BABA
Literature Reference Citation J.AM.CHEM.SOC.,124,13442(2002)
Literature Reference DOI 10.1021/ja0274047
Molecular Weight 626.022 g/mol
Sample ID 48447
Solvent CDCl3