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2-(butan-2-ylamino)-1-(sulfothio)octane
SpectraBase Compound ID BK9Vm2hZTDv
InChI InChI=1S/C12H27NO3S2/c1-4-6-7-8-9-12(13-11(3)5-2)10-17-18(14,15)16/h11-13H,4-10H2,1-3H3,(H,14,15,16)
InChIKey IGVSYVRDRZNRHH-UHFFFAOYSA-N
Mol Weight 297.47 g/mol
Molecular Formula C12H27NO3S2
Exact Mass 297.143236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcrtXMD1pNj
Name 2-(butan-2-ylamino)-1-(sulfothio)octane
Alternate Name(s) 2-(butan-2-ylamino)-1-sulfosulfanyl-octane 2-(sec-butylamino)-1-(sulfothio)octane 2-(sec-butylamino)-1-sulfosulfanyl-octane
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Formula C12H27NO3S2
InChI InChI=1S/C12H27NO3S2/c1-4-6-7-8-9-12(13-11(3)5-2)10-17-18(14,15)16/h11-13H,4-10H2,1-3H3,(H,14,15,16)
InChIKey IGVSYVRDRZNRHH-UHFFFAOYSA-N
Molecular Weight 297.472 g/mol
SMILES [NH2+](C(CSS([O-])(=O)=O)CCCCCC)C(CC)C
SPLASH splash10-00di-4900000000-14a438a4573729ab2322
Source of Spectrum D9-1-38-1
Wiley ID 1546124