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(1S,2R)/(1R,2S)-2-[4-(tert-Butyl)phenyl]-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl Acetate
SpectraBase Compound ID 7o1qtqAN6EP
InChI InChI=1S/C28H30O4/c1-19(29)32-27(22-13-17-24(31-5)18-14-22)25(26(30)21-9-7-6-8-10-21)20-11-15-23(16-12-20)28(2,3)4/h6-18,25,27H,1-5H3/t25-,27+/m0/s1
InChIKey MPLPUWBQQOGZSZ-AHKZPQOWSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5M21ZvSJ3jD
Name (1S,2R)/(1R,2S)-2-[4-(tert-Butyl)phenyl]-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl Acetate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-19(29)32-27(22-13-17-24(31-5)18-14-22)25(26(30)21-9-7-6-8-10-21)20-11-15-23(16-12-20)28(2,3)4/h6-18,25,27H,1-5H3/t25-,27+/m0/s1
InChIKey MPLPUWBQQOGZSZ-AHKZPQOWSA-N
Instrument Name Agilent Technologies (HP) 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901647
Molecular Weight 430.544 g/mol
SMILES c1c([C@]([C@@](c2ccc(OC)cc2)(OC(=O)C)[H])(C(=O)c2ccccc2)[H])ccc(C(C)(C)C)c1
SPLASH splash10-0zi9-2890000000-5d3241f2ca20dffc7650
Source of Spectrum U1-2020-2049-4d
Wiley ID 1860427