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(3S,4S,5S)-3-(4-bromobenzyl)-4-phenacyl-5-phenyl-tetrahydrofuran-2-one
SpectraBase Compound ID GYTOOQCOsOw
InChI InChI=1S/C25H21BrO3/c26-20-13-11-17(12-14-20)15-22-21(16-23(27)18-7-3-1-4-8-18)24(29-25(22)28)19-9-5-2-6-10-19/h1-14,21-22,24H,15-16H2/t21-,22-,24+/m0/s1
InChIKey CLQAEMGFPFUPLA-WPFOTENUSA-N
Mol Weight 449.34 g/mol
Molecular Formula C25H21BrO3
Exact Mass 448.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8m9MG2ThBcX
Name (3S,4S,5S)-3-(4-bromobenzyl)-4-phenacyl-5-phenyl-tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21BrO3
InChI InChI=1S/C25H21BrO3/c26-20-13-11-17(12-14-20)15-22-21(16-23(27)18-7-3-1-4-8-18)24(29-25(22)28)19-9-5-2-6-10-19/h1-14,21-22,24H,15-16H2/t21-,22-,24+/m0/s1
InChIKey CLQAEMGFPFUPLA-WPFOTENUSA-N
Molecular Weight 449.344 g/mol
SMILES C1(O[C@@]([C@]([C@@]1(Cc1ccc(cc1)Br)[H])(CC(=O)c1ccccc1)[H])(c1ccccc1)[H])=O
SPLASH splash10-0a4i-0930100000-c2db716a9ad0fb7238f5
Source of Spectrum J-67-5314-35
Synonyms (3S,4S,5S)-3-[(4-bromophenyl)methyl]-4-phenacyl-5-phenyl-2-oxolanone (3S,4S,5S)-3-[(4-bromophenyl)methyl]-4-phenacyl-5-phenyl-oxolan-2-one (3S,4S,5S)-3-[(4-bromophenyl)methyl]-4-phenacyl-5-phenyl-tetrahydrofuran-2-one
Wiley ID 1570430