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D,L-1,4-phenylene-bis{[(ethylthio)thioxomethylthio]acetic acid}
SpectraBase Compound ID 8lBdnRBkibm
InChI InChI=1S/C16H18O4S6/c1-3-23-15(21)25-11(13(17)18)9-5-7-10(8-6-9)12(14(19)20)26-16(22)24-4-2/h5-8,11-12H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKey XSPLILLMGSSPPZ-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C16H18O4S6
Exact Mass 465.952936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvDlL5Ab0L7
Name D,L-1,4-phenylene-bis{[(ethylthio)thioxomethylthio]acetic acid}
CAS Registry Number 106064-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S6
InChI InChI=1S/C16H18O4S6/c1-3-23-15(21)25-11(13(17)18)9-5-7-10(8-6-9)12(14(19)20)26-16(22)24-4-2/h5-8,11-12H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKey XSPLILLMGSSPPZ-UHFFFAOYSA-N
Molecular Weight 466.676 g/mol
SMILES OC(C(c1ccc(C(C(=O)O)SC(=S)SCC)cc1)SC(=S)SCC)=O
SPLASH splash10-004i-9300000000-9b24900994ee5728ae42
Source of Spectrum K-120-417-5
Synonyms [4-(carboxy{[(ethylsulfanyl)carbothioyl]sulfanyl}methyl)phenyl]{[(ethylsulfanyl)carbothioyl]sulfanyl}acetic acid
Wiley ID 1391810