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Methyl erythro-2-hydroxy-3-(4-methoxyphenyl)-3-(3-amino-2-thienylthio)propionate
SpectraBase Compound ID JRMEJB3fssO
InChI InChI=1S/C15H17NO4S2/c1-19-10-5-3-9(4-6-10)13(12(17)14(18)20-2)22-15-11(16)7-8-21-15/h3-8,12-13,17H,16H2,1-2H3/t12-,13-/m1/s1
InChIKey CDUWDMADHDIIKN-CHWSQXEVSA-N
Mol Weight 339.42 g/mol
Molecular Formula C15H17NO4S2
Exact Mass 339.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fyegp5UZkSy
Name Methyl erythro-2-hydroxy-3-(4-methoxyphenyl)-3-(3-amino-2-thienylthio)propionate
Alternate Name(s) Methyl 3-[(3-amino-2-thienyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate Methyl threo-2-hydroxy-3-(4-methoxyphenyl)-3-(3-amino-2-thienylthio)propionate
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Formula C15H17NO4S2
InChI InChI=1S/C15H17NO4S2/c1-19-10-5-3-9(4-6-10)13(12(17)14(18)20-2)22-15-11(16)7-8-21-15/h3-8,12-13,17H,16H2,1-2H3/t12-,13-/m1/s1
InChIKey CDUWDMADHDIIKN-CHWSQXEVSA-N
Molecular Weight 339.424 g/mol
SMILES O[C@]([C@](Sc1c(ccs1)N)(c1ccc(cc1)OC)[H])(C(=O)OC)[H]
SPLASH splash10-00di-0920000000-dd95fa12323547aeaed5
Source of Spectrum H1-41-716-12
Wiley ID 757216