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2-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
SpectraBase Compound ID DJGGNUFgQ1j
InChI InChI=1S/C20H22ClNO4S/c1-11-6-15(7-12(2)18(11)21)26-9-14-8-13(4-5-17(14)25-3)19-22-16(10-27-19)20(23)24/h4-8,16,19,22H,9-10H2,1-3H3,(H,23,24)
InChIKey WNNKUHGYJPBLCS-UHFFFAOYSA-N
Mol Weight 407.91 g/mol
Molecular Formula C20H22ClNO4S
Exact Mass 407.095807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwfnofmuGGd
Name 2-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
Alternate Name(s) 2-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid 2-[3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-4-thiazolidin-3-iumcarboxylate 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-4-thiazolidinecarboxylic acid
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Formula C20H22ClNO4S
InChI InChI=1S/C20H22ClNO4S/c1-11-6-15(7-12(2)18(11)21)26-9-14-8-13(4-5-17(14)25-3)19-22-16(10-27-19)20(23)24/h4-8,16,19,22H,9-10H2,1-3H3,(H,23,24)
InChIKey WNNKUHGYJPBLCS-UHFFFAOYSA-N
Molecular Weight 407.912 g/mol
SMILES N1C(SCC1C(=O)O)c1cc(COc2cc(C)c(c(c2)C)Cl)c(cc1)OC
SPLASH splash10-052f-9521000000-ee8de794f9e7cd7e202a
Wiley ID 1461875