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(1S,2R)/(1R,2S)-1-(4-Methoxyphenyl)-3-(4-methylphenyl)-3-oxo-2-phenylpropyl Propionate
SpectraBase Compound ID HoFFyGSzA47
InChI InChI=1S/C26H26O4/c1-4-23(27)30-26(21-14-16-22(29-3)17-15-21)24(19-8-6-5-7-9-19)25(28)20-12-10-18(2)11-13-20/h5-17,24,26H,4H2,1-3H3/t24-,26+/m0/s1
InChIKey ZNWUHZYNFCVRSX-AZGAKELHSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkgVprUXn8I
Name (1S,2R)/(1R,2S)-1-(4-Methoxyphenyl)-3-(4-methylphenyl)-3-oxo-2-phenylpropyl Propionate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-4-23(27)30-26(21-14-16-22(29-3)17-15-21)24(19-8-6-5-7-9-19)25(28)20-12-10-18(2)11-13-20/h5-17,24,26H,4H2,1-3H3/t24-,26+/m0/s1
InChIKey ZNWUHZYNFCVRSX-AZGAKELHSA-N
Instrument Name Agilent Technologies (HP) 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901647
Molecular Weight 402.490 g/mol
SMILES c1c([C@]([C@@](c2ccc(cc2)OC)(OC(=O)CC)[H])(C(=O)c2ccc(cc2)C)[H])cccc1
SPLASH splash10-03xr-1690000000-75469b6ed63268781435
Source of Spectrum U1-2020-2050-4k
Wiley ID 1860434