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(1S,2R)/(1R,2S)-2-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-3-oxo-propyl Propionate
SpectraBase Compound ID 3y4wncD3amZ
InChI InChI=1S/C27H27ClO5/c1-5-24(29)33-27(20-12-15-22(31-3)23(16-20)32-4)25(18-10-13-21(28)14-11-18)26(30)19-8-6-17(2)7-9-19/h6-16,25,27H,5H2,1-4H3/t25-,27+/m0/s1
InChIKey HKWAFNKXACXYCT-AHKZPQOWSA-N
Mol Weight 466.96 g/mol
Molecular Formula C27H27ClO5
Exact Mass 466.154702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ha7YYygC9VD
Name (1S,2R)/(1R,2S)-2-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-3-oxo-propyl Propionate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27ClO5
InChI InChI=1S/C27H27ClO5/c1-5-24(29)33-27(20-12-15-22(31-3)23(16-20)32-4)25(18-10-13-21(28)14-11-18)26(30)19-8-6-17(2)7-9-19/h6-16,25,27H,5H2,1-4H3/t25-,27+/m0/s1
InChIKey HKWAFNKXACXYCT-AHKZPQOWSA-N
Instrument Name Agilent Technologies (HP) 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901647
Molecular Weight 466.961 g/mol
SMILES c1cc(Cl)ccc1[C@@](C(c1ccc(C)cc1)=O)([C@](OC(CC)=O)(c1ccc(c(c1)OC)OC)[H])[H]
SPLASH splash10-014i-2931000000-1115b92fc83d9f95aa82
Source of Spectrum U1-2020-2050-4n
Wiley ID 1860437