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Methyl threo-2-hydroxy-3-(4-methoxyphenyl)-3-(3-nitro-2-thienylthio)propionate
SpectraBase Compound ID LwuePNJ26rQ
InChI InChI=1S/C15H15NO6S2/c1-21-10-5-3-9(4-6-10)13(12(17)14(18)22-2)24-15-11(16(19)20)7-8-23-15/h3-8,12-13,17H,1-2H3/t12-,13+/m1/s1
InChIKey RWTBDBSPBAKYTJ-OLZOCXBDSA-N
Mol Weight 369.41 g/mol
Molecular Formula C15H15NO6S2
Exact Mass 369.03408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZbvZOA7xt8
Name Methyl threo-2-hydroxy-3-(4-methoxyphenyl)-3-(3-nitro-2-thienylthio)propionate
Comments Less than 3 mono-isotopic peaks
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Formula C15H15NO6S2
InChI InChI=1S/C15H15NO6S2/c1-21-10-5-3-9(4-6-10)13(12(17)14(18)22-2)24-15-11(16(19)20)7-8-23-15/h3-8,12-13,17H,1-2H3/t12-,13+/m1/s1
InChIKey RWTBDBSPBAKYTJ-OLZOCXBDSA-N
Molecular Weight 369.406 g/mol
SMILES O[C@]([C@@](Sc1c(N(=O)=O)ccs1)(c1ccc(cc1)OC)[H])(C(=O)OC)[H]
SPLASH splash10-00di-0900000000-d2984a0b758fa1f238d8
Source of Spectrum H1-41-715-9
Synonyms methyl 2-hydroxy-3-(4-methoxyphenyl)-3-[(3-nitro-2-thienyl)sulfanyl]propanoate Methyl erythro-2-hydroxy-3-(4-methoxyphenyl)-3-(3-nitro-2-thienylthio)propionate (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-[(3-nitro-2-thiophenyl)thio]propanoic acid methyl ester methyl (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-(3-nitrothiophen-2-yl)sulfanylpropanoate methyl (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-[(3-nitro-2-thienyl)sulfanyl]propanoate methyl (2S,3S)-3-(4-methoxyphenyl)-3-(3-nitrothiophen-2-yl)sulfanyl-2-oxidanyl-propanoate
Wiley ID 757219