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5-[(Ethoxycarbonyl)amino]-2'-(2''-methylmercapto)-2'-methylpropylimino]-3-methyl-1,3,4-thiadiazoline
SpectraBase Compound ID 4mW9jPRTn7g
InChI InChI=1S/C11H20N4O2S2/c1-6-17-10(16)13-8-14-15(4)9(19-8)12-7-11(2,3)18-5/h6-7H2,1-5H3,(H,13,14,16)/b12-9+
InChIKey MLBMAECAARVPSI-FMIVXFBMSA-N
Mol Weight 304.43 g/mol
Molecular Formula C11H20N4O2S2
Exact Mass 304.102768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rkRG1BQDSQ
Name 5-[(Ethoxycarbonyl)amino]-2'-(2''-methylmercapto)-2'-methylpropylimino]-3-methyl-1,3,4-thiadiazoline
Alternate Name(s) 5-[(ethoxycarbonyl)amino]-2'-(2''-methylmercapto)-2'-methylpropylimino]-3-methyl-1,3,4-thiadiazoline ethyl (5E)-4-methyl-5-{[(E)-2-methyl-2-(methylsulfanyl)propyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-ylcarbamate
Comments Less than 3 mono-isotopic peaks
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Formula C11H20N4O2S2
InChI InChI=1S/C11H20N4O2S2/c1-6-17-10(16)13-8-14-15(4)9(19-8)12-7-11(2,3)18-5/h6-7H2,1-5H3,(H,13,14,16)/b12-9+
InChIKey MLBMAECAARVPSI-FMIVXFBMSA-N
Molecular Weight 304.427 g/mol
SMILES N(C=1S\C(=N\CC(SC)(C)C)N(N1)C)C(=O)OCC
SPLASH splash10-014i-0090000000-1a5745c8bbc8500acd54
Source of Spectrum Y-33-208-6
Wiley ID 1305955