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Methyl (2R,4R)-2-phenyl-3-(pro-2-ynylthioacetyl)thiazolidene-4-carboxylate
SpectraBase Compound ID L3qFhpd7Mav
InChI InChI=1S/C16H17NO3S2/c1-3-9-21-11-14(18)17-13(16(19)20-2)10-22-15(17)12-7-5-4-6-8-12/h1,4-8,13,15H,9-11H2,2H3/t13-,15+/m0/s1
InChIKey LCJKUNBEEOZLMQ-DZGCQCFKSA-N
Mol Weight 335.44 g/mol
Molecular Formula C16H17NO3S2
Exact Mass 335.064986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaqBMaozE5
Name Methyl (2R,4R)-2-phenyl-3-(pro-2-ynylthioacetyl)thiazolidene-4-carboxylate
Alternate Name(s) Methyl (2R,4R)-2-phenyl-3-[(2-propynylsulfanyl)acetyl]-1,3-thiazolidine-4-carboxylate (2R,4R)-3-[1-oxo-2-(prop-2-ynylthio)ethyl]-2-phenyl-4-thiazolidinecarboxylic acid methyl ester Methyl (2R,4R)-2-phenyl-3-(2-prop-2-ynylsulfanylacetyl)-1,3-thiazolidine-4-carboxylate Methyl (2R,4R)-2-phenyl-3-(2-prop-2-ynylsulfanylacetyl)thiazolidine-4-carboxylate Methyl (2R,4R)-2-phenyl-3-(2-prop-2-ynylsulfanylethanoyl)-1,3-thiazolidine-4-carboxylate
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Formula C16H17NO3S2
InChI InChI=1S/C16H17NO3S2/c1-3-9-21-11-14(18)17-13(16(19)20-2)10-22-15(17)12-7-5-4-6-8-12/h1,4-8,13,15H,9-11H2,2H3/t13-,15+/m0/s1
InChIKey LCJKUNBEEOZLMQ-DZGCQCFKSA-N
Molecular Weight 335.436 g/mol
SMILES [C@]1(N([C@](SC1)(c1ccccc1)[H])C(=O)CSCC#C)(C(=O)OC)[H]
SPLASH splash10-03k9-0190000000-632bba7fd52a4618d059
Source of Spectrum KC-0-1221-5
Wiley ID 827829