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(2S,5R,1'S)-2-(tert-butyl)-5-[1'-hydroxy1'-(4-bromophenyl)methyl]-5-phenyl-1,3-dioxolane-4-one
SpectraBase Compound ID 14teir9gL4v
InChI InChI=1S/C20H21BrO4/c1-19(2,3)18-24-17(23)20(25-18,14-7-5-4-6-8-14)16(22)13-9-11-15(21)12-10-13/h4-12,16,18,22H,1-3H3/t16-,18+,20+/m0/s1
InChIKey UMNMRSRLLBDULU-ILZDJORESA-N
Mol Weight 405.29 g/mol
Molecular Formula C20H21BrO4
Exact Mass 404.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iCkTNiXUba
Name (2S,5R,1'S)-2-(tert-butyl)-5-[1'-hydroxy1'-(4-bromophenyl)methyl]-5-phenyl-1,3-dioxolane-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrO4
InChI InChI=1S/C20H21BrO4/c1-19(2,3)18-24-17(23)20(25-18,14-7-5-4-6-8-14)16(22)13-9-11-15(21)12-10-13/h4-12,16,18,22H,1-3H3/t16-,18+,20+/m0/s1
InChIKey UMNMRSRLLBDULU-ILZDJORESA-N
Molecular Weight 405.288 g/mol
SMILES O[C@]([C@@]1(C(O[C@](O1)(C(C)(C)C)[H])=O)c1ccccc1)(c1ccc(cc1)Br)[H]
SPLASH splash10-00di-4290000000-6de034e54549643ad459
Source of Spectrum F-67-885-7da
Wiley ID 1685538