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(2S,3R)-2-Benzyl-3-hydroxy-3-(4-nitro-phenyl)-dithiopropionic acid methyl ester
SpectraBase Compound ID KowZYhSZeFI
InChI InChI=1S/C17H17NO3S2/c1-23-17(22)15(11-12-5-3-2-4-6-12)16(19)13-7-9-14(10-8-13)18(20)21/h2-10,15-16,19H,11H2,1H3/t15-,16-/m0/s1
InChIKey JZSHKSPLSBYNHS-HOTGVXAUSA-N
Mol Weight 347.45 g/mol
Molecular Formula C17H17NO3S2
Exact Mass 347.064986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TC67gvsksm
Name (2S,3R)-2-Benzyl-3-hydroxy-3-(4-nitro-phenyl)-dithiopropionic acid methyl ester
Alternate Name(s) Methyl (2S,3R)-2-benzyl-3-hydroxy-3-(4-nitrophenyl)propanedithioate Methyl threo-2-Benzyl-3-hydroxy-3-(4-nitrophenyl)propanedithioate
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Formula C17H17NO3S2
InChI InChI=1S/C17H17NO3S2/c1-23-17(22)15(11-12-5-3-2-4-6-12)16(19)13-7-9-14(10-8-13)18(20)21/h2-10,15-16,19H,11H2,1H3/t15-,16-/m0/s1
InChIKey JZSHKSPLSBYNHS-HOTGVXAUSA-N
Molecular Weight 347.447 g/mol
SMILES O[C@]([C@@](C(=S)SC)(Cc1ccccc1)[H])(c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-00kg-5900000000-161cebf251884044ad23
Source of Spectrum AJ-72-816-7
Wiley ID 774987