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3-Hydroxy-2-methyl-3-phenyl-dithiobutanoic acid
SpectraBase Compound ID LAZRr9W8oUG
InChI InChI=1S/C11H14OS2/c1-8(10(13)14)11(2,12)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,13,14)
InChIKey SGAXLYONXXHVGR-UHFFFAOYSA-N
Mol Weight 226.35 g/mol
Molecular Formula C11H14OS2
Exact Mass 226.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnGNUmYxUBm
Name 3-Hydroxy-2-methyl-3-phenyl-dithiobutanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C11H14OS2
InChI InChI=1S/C11H14OS2/c1-8(10(13)14)11(2,12)9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,13,14)
InChIKey SGAXLYONXXHVGR-UHFFFAOYSA-N
Molecular Weight 226.352 g/mol
SMILES OC(C(C(=S)S)C)(c1ccccc1)C
SPLASH splash10-0a4i-0900000000-c2e13f206cdecde22111
Source of Spectrum D8-326-981-12
Synonyms 3-hydroxy-2-methyl-3-phenylbutanedithioic acid
Wiley ID 1515003