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Methyl N-(t-butoxycarbonyl)-DL-dithioalanine
SpectraBase Compound ID 7Y4wkBp93hI
InChI InChI=1S/C9H17NO2S2/c1-6(7(13)14-5)10-8(11)12-9(2,3)4/h6H,1-5H3,(H,10,11)
InChIKey DQASSUHMSBHMPO-UHFFFAOYSA-N
Mol Weight 235.36 g/mol
Molecular Formula C9H17NO2S2
Exact Mass 235.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4uJ93ZtJfE
Name Methyl N-(t-butoxycarbonyl)-DL-dithioalanine
Alternate Name(s) methyl 2-[(tert-butoxycarbonyl)amino]propanedithioate
CAS Registry Number 141041-85-2
Comments Less than 3 mono-isotopic peaks
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Formula C9H17NO2S2
InChI InChI=1S/C9H17NO2S2/c1-6(7(13)14-5)10-8(11)12-9(2,3)4/h6H,1-5H3,(H,10,11)
InChIKey DQASSUHMSBHMPO-UHFFFAOYSA-N
Molecular Weight 235.360 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=S)SC)C
SPLASH splash10-0a4i-9000000000-8ad0e4657688d1d23223
Source of Spectrum U-1992-603-10
Wiley ID 764097