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2-pyridinecarboxylic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-3,5,6-trichloro-, ethyl ester
SpectraBase Compound ID GK24KNLKX4b
InChI InChI=1S/C22H26Cl3NO3S/c1-8-29-20(28)16-14(23)18(15(24)19(25)26-16)30-11-9-12(21(2,3)4)17(27)13(10-11)22(5,6)7/h9-10,27H,8H2,1-7H3
InChIKey VEAKGYYIOGQIQD-UHFFFAOYSA-N
Mol Weight 490.87 g/mol
Molecular Formula C22H26Cl3NO3S
Exact Mass 489.069898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeVOzkd3B6v
Name 3,5,6-trichloro-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]picolinic acid ethyl ester
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Formula C22H26Cl3NO3S
InChI InChI=1S/C22H26Cl3NO3S/c1-8-29-20(28)16-14(23)18(15(24)19(25)26-16)30-11-9-12(21(2,3)4)17(27)13(10-11)22(5,6)7/h9-10,27H,8H2,1-7H3
InChIKey VEAKGYYIOGQIQD-UHFFFAOYSA-N
Molecular Weight 490.873 g/mol
SMILES Oc1c(cc(Sc2c(c(nc(Cl)c2Cl)C(=O)OCC)Cl)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-000f-0321900000-26f11767d8f03304a248
Synonyms 3,5,6-trichloro-4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-2-pyridinecarboxylic acid ethyl ester Ethyl 3,5,6-trichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-pyridine-2-carboxylate Ethyl 3,5,6-tris(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-pyridine-2-carboxylate
Wiley ID 1463939