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2-(3-{[(3-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]oxy}phenyl)-1,3-thiazolidine-4-carboxylic acid
SpectraBase Compound ID 3CibcuBKRSI
InChI InChI=1S/C15H14IN3O4S/c1-19-11(6-12(16)18-19)15(22)23-9-4-2-3-8(5-9)13-17-10(7-24-13)14(20)21/h2-6,10,13,17H,7H2,1H3,(H,20,21)
InChIKey YJGUVPVWDQFWNH-UHFFFAOYSA-N
Mol Weight 459.26 g/mol
Molecular Formula C15H14IN3O4S
Exact Mass 458.974972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QJOEeDaC0G
Name 2-(3-{[(3-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]oxy}phenyl)-1,3-thiazolidine-4-carboxylic acid
Alternate Name(s) 2-[3-(5-iodanyl-2-methyl-pyrazol-3-yl)carbonyloxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate 2-[3-(5-iodanyl-2-methyl-pyrazol-3-yl)carbonyloxyphenyl]-1,3-thiazolidine-4-carboxylic acid 2-[3-(5-iodo-2-methyl-pyrazole-3-carbonyl)oxyphenyl]thiazolidin-3-ium-4-carboxylate 2-[3-(5-iodo-2-methyl-pyrazole-3-carbonyl)oxyphenyl]thiazolidine-4-carboxylic acid 2-[3-(5-iodo-2-methylpyrazole-3-carbonyl)oxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate 2-[3-(5-iodo-2-methylpyrazole-3-carbonyl)oxyphenyl]-1,3-thiazolidine-4-carboxylic acid 2-[3-[(5-iodo-2-methyl-3-pyrazolyl)-oxomethoxy]phenyl]-4-thiazolidin-3-iumcarboxylate 2-[3-[(5-iodo-2-methyl-3-pyrazolyl)-oxomethoxy]phenyl]-4-thiazolidinecarboxylic acid
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Formula C15H14IN3O4S
InChI InChI=1S/C15H14IN3O4S/c1-19-11(6-12(16)18-19)15(22)23-9-4-2-3-8(5-9)13-17-10(7-24-13)14(20)21/h2-6,10,13,17H,7H2,1H3,(H,20,21)
InChIKey YJGUVPVWDQFWNH-UHFFFAOYSA-N
Molecular Weight 459.258 g/mol
SMILES N1C(C(=O)O)CSC1c1cc(OC(c2[n](nc(c2)I)C)=O)ccc1
SPLASH splash10-000l-9440100000-2f1b28aad909fd30f2e3
Wiley ID 1455099