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(2'S,3'S,4R,5S)-2,2-Dimethyl-5-[(tert-butyldimethylsilyloxy)methyl]-4-[3'-[(4"-methylphenyl)thio]-3'-nitrooxiran-2'-yl]-1,3-dioxolane

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(2'S,3'S,4R,5S)-2,2-Dimethyl-5-[(tert-butyldimethylsilyloxy)methyl]-4-[3'-[(4"-methylphenyl)thio]-3'-nitrooxiran-2'-yl]-1,3-dioxolane
SpectraBase Compound ID DTOBEz5DvQ8
InChI InChI=1S/C21H33NO6SSi/c1-14-9-11-15(12-10-14)29-21(22(23)24)18(28-21)17-16(26-20(5,6)27-17)13-25-30(7,8)19(2,3)4/h9-12,16-18H,13H2,1-8H3/t16-,17+,18+,21+/m1/s1
InChIKey ARBBKVMGIJKARG-WKRCXCSHSA-N
Mol Weight 455.6 g/mol
Molecular Formula C21H33NO6SSi
Exact Mass 455.179785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cNX8wMRqlJ
Name (2'S,3'S,4R,5S)-2,2-Dimethyl-5-[(tert-butyldimethylsilyloxy)methyl]-4-[3'-[(4"-methylphenyl)thio]-3'-nitrooxiran-2'-yl]-1,3-dioxolane
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Formula C21H33NO6SSi
InChI InChI=1S/C21H33NO6SSi/c1-14-9-11-15(12-10-14)29-21(22(23)24)18(28-21)17-16(26-20(5,6)27-17)13-25-30(7,8)19(2,3)4/h9-12,16-18H,13H2,1-8H3/t16-,17+,18+,21+/m1/s1
InChIKey ARBBKVMGIJKARG-WKRCXCSHSA-N
Molecular Weight 455.641 g/mol
SMILES [C@]1([C@@]([C@@]2([C@](OC(O2)(C)C)(CO[Si](C(C)(C)C)(C)C)[H])[H])([H])O1)(N(=O)=O)Sc1ccc(cc1)C
SPLASH splash10-0006-4002900000-cbc328b48b0baf37648a
Source of Spectrum J-60-6438-31
Synonyms (2'S,3'S,4R,5S)-2,2-Dimethyl-5-[(tert-butyldimethylsilyloxy)methyl]-4-[3'-[(4''-methylphenyl)thio]-3'-nitrooxiran-2'-yl]-1,3-dioxolane tert-Butyl({[(4S,5R)-2,2-dimethyl-5-[(2S,3S)-3-[(4-methylphenyl)sulfanyl]-3-nitrooxiran-2-yl]-1,3-dioxolan-4-yl]methoxy})dimethylsilane
Wiley ID 538413