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S-(4"-Methylphenyl) (2'S,4R)-2'-Bromo-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
SpectraBase Compound ID DNFgxQHYotC
InChI InChI=1S/C14H17BrO3S/c1-9-4-6-10(7-5-9)19-13(16)12(15)11-8-17-14(2,3)18-11/h4-7,11-12H,8H2,1-3H3/t11-,12+/m1/s1
InChIKey DHFYONUOZYUHQW-NEPJUHHUSA-N
Mol Weight 345.25 g/mol
Molecular Formula C14H17BrO3S
Exact Mass 344.008179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjzHicEqCFO
Name S-(4"-Methylphenyl) (2'S,4R)-2'-Bromo-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
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Formula C14H17BrO3S
InChI InChI=1S/C14H17BrO3S/c1-9-4-6-10(7-5-9)19-13(16)12(15)11-8-17-14(2,3)18-11/h4-7,11-12H,8H2,1-3H3/t11-,12+/m1/s1
InChIKey DHFYONUOZYUHQW-NEPJUHHUSA-N
Molecular Weight 345.251 g/mol
SMILES C([C@]([C@@]1(OC(C)(C)OC1)[H])(Br)[H])(Sc1ccc(cc1)C)=O
SPLASH splash10-0fkc-3920000000-9d60ca18f837bc059ce2
Source of Spectrum J-60-6437-18
Synonyms S-(4''-Methylphenyl) (2'S,4R)-2'-Bromo-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate S-(4-methylphenyl) (2S)-bromo[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate
Wiley ID 1337581