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Isothiourea, 2-(2-octylsulfonyl)ethyl-
SpectraBase Compound ID Kt65jXCSHsL
InChI InChI=1S/C11H24N2O2S2/c1-2-3-4-5-6-7-9-17(14,15)10-8-16-11(12)13/h2-10H2,1H3,(H3,12,13)
InChIKey SMJAISZBCJPDQC-UHFFFAOYSA-N
Mol Weight 280.44 g/mol
Molecular Formula C11H24N2O2S2
Exact Mass 280.12792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QIH54AYFOM
Name Isothiourea, 2-(2-octylsulfonyl)ethyl-
Alternate Name(s) 2-(2-Octylsulfonylethyl)isothiourea 2-(Octylsulfonyl)ethyl imidothiocarbamate 2-Octylsulfonylethyl carbamimidothioate Carbamimidothioic acid 2-octylsulfonylethyl ester
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Formula C11H24N2O2S2
InChI InChI=1S/C11H24N2O2S2/c1-2-3-4-5-6-7-9-17(14,15)10-8-16-11(12)13/h2-10H2,1H3,(H3,12,13)
InChIKey SMJAISZBCJPDQC-UHFFFAOYSA-N
Molecular Weight 280.445 g/mol
SMILES N=C(SCCS(=O)(=O)CCCCCCCC)N
SPLASH splash10-01ox-9100000000-5ba9901537c5e57ada2d
Source of Spectrum AD-0-2532-0
Wiley ID 1432373