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6-(methyldisulfanyl)-2-(3-pyridinyl)hexanedithioic acid methyl ester
SpectraBase Compound ID ICx2eYbN1uA
InChI InChI=1S/C13H19NS4/c1-16-13(15)12(7-3-4-9-18-17-2)11-6-5-8-14-10-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKey VEGMJXOEFVNLLS-LBPRGKRZSA-N
Mol Weight 317.5 g/mol
Molecular Formula C13H19NS4
Exact Mass 317.040034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JUuJpljgaT
Name 6-(methyldisulfanyl)-2-(3-pyridinyl)hexanedithioic acid methyl ester
Alternate Name(s) 6-(methyldisulfanyl)-2-(3-pyridyl)hexanedithioic acid methyl ester Methyl 6-(methyldisulfanyl)-2-(3-pyridyl)hexanedithioate Methyl 6-(methyldisulfanyl)-2-pyridin-3-yl-hexanedithioate
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Formula C13H19NS4
InChI InChI=1S/C13H19NS4/c1-16-13(15)12(7-3-4-9-18-17-2)11-6-5-8-14-10-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKey VEGMJXOEFVNLLS-LBPRGKRZSA-N
Molecular Weight 317.542 g/mol
SMILES C([C@](c1cnccc1)(CCCCSSC)[H])(=S)SC
SPLASH splash10-00di-0190000000-d262f51a03c62c47b99e
Source of Spectrum J-61-8705-13
Wiley ID 1317513