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2,3,4-trichloro-5,6-bis(trifluoromethylthio)benzoic acid methyl ester
SpectraBase Compound ID 9XEw8ZYjdH8
InChI InChI=1S/C10H3Cl3F6O2S2/c1-21-8(20)2-3(11)4(12)5(13)7(23-10(17,18)19)6(2)22-9(14,15)16/h1H3
InChIKey ATVVUUGNBUYPHB-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C10H3Cl3F6O2S2
Exact Mass 437.854424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7muQp75kzPI
Name 2,3,4-trichloro-5,6-bis(trifluoromethylthio)benzoic acid methyl ester
CAS Registry Number 114861-70-0
Comments Less than 3 mono-isotopic peaks
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Formula C10H3Cl3F6O2S2
InChI InChI=1S/C10H3Cl3F6O2S2/c1-21-8(20)2-3(11)4(12)5(13)7(23-10(17,18)19)6(2)22-9(14,15)16/h1H3
InChIKey ATVVUUGNBUYPHB-UHFFFAOYSA-N
Molecular Weight 439.601 g/mol
SMILES c1(c(c(SC(F)(F)F)c(c(c1Cl)Cl)Cl)SC(F)(F)F)C(=O)OC
SPLASH splash10-00di-0009300000-c4f5f512120ca4959800
Source of Spectrum K-121-1838-4
Synonyms methyl 2,3,4-tris(chloranyl)-5,6-bis(trifluoromethylsulfanyl)benzoate
Wiley ID 1383904