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2-[4-(2-chlorobenzyl)oxy-3-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate
SpectraBase Compound ID 3fG6bTdSdVJ
InChI InChI=1S/C18H18ClNO4S/c1-23-16-8-11(17-20-14(10-25-17)18(21)22)6-7-15(16)24-9-12-4-2-3-5-13(12)19/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)
InChIKey NRKFZSMPWRLLHJ-UHFFFAOYSA-N
Mol Weight 379.86 g/mol
Molecular Formula C18H18ClNO4S
Exact Mass 379.064507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAKTtGXfa5P
Name 2-[4-(2-chlorobenzyl)oxy-3-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate
Alternate Name(s) 2-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate 2-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid 2-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate 2-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]thiazolidine-4-carboxylic acid 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-4-thiazolidin-3-iumcarboxylate 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-4-thiazolidinecarboxylic acid 2-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
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Formula C18H18ClNO4S
InChI InChI=1S/C18H18ClNO4S/c1-23-16-8-11(17-20-14(10-25-17)18(21)22)6-7-15(16)24-9-12-4-2-3-5-13(12)19/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)
InChIKey NRKFZSMPWRLLHJ-UHFFFAOYSA-N
Molecular Weight 379.858 g/mol
SMILES N1C(SCC1C(=O)O)c1cc(OC)c(cc1)OCc1c(Cl)cccc1
SPLASH splash10-004i-9823000000-d25704a4d7bda1646066
Wiley ID 1452079