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5-Ethoxycarbonylamino-4-methallyl-2-methyl-3-methylmercapto-1,2,4-triazolium tetrafluoromethanesulfonate
SpectraBase Compound ID Fc1qlxuku8Z
InChI InChI=1S/C11H18N4O2S.CHF3O3S/c1-6-17-10(16)12-9-13-14(4)11(18-5)15(9)7-8(2)3;2-1(3,4)8(5,6)7/h2,6-7H2,1,3-5H3;(H,5,6,7)
InChIKey APQMBXWADAADME-UHFFFAOYSA-N
Mol Weight 420.42 g/mol
Molecular Formula C12H19F3N4O5S2
Exact Mass 420.074897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tioDxxM8CG
Name 5-Ethoxycarbonylamino-4-methallyl-2-methyl-3-methylmercapto-1,2,4-triazolium tetrafluoromethanesulfonate
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Formula C12H19F3N4O5S2
InChI InChI=1S/C11H18N4O2S.CHF3O3S/c1-6-17-10(16)12-9-13-14(4)11(18-5)15(9)7-8(2)3;2-1(3,4)8(5,6)7/h2,6-7H2,1,3-5H3;(H,5,6,7)
InChIKey APQMBXWADAADME-UHFFFAOYSA-N
Molecular Weight 420.422 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.N(c1[n](c([n+](C)n1)SC)CC(=C)C)C(=O)OCC
SPLASH splash10-02u1-9670000000-a15bd59cccb5aa9757f0
Source of Spectrum F-52-795-4
Synonyms Ethyl 1-methyl-4-(2-methyl-2-propenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-1-ium-3-ylcarbamate trifluoromethanesulfonate Ethyl N-[1-methyl-4-(2-methylallyl)-5-methylsulfanyl-1,2,4-triazol-4-ium-3-yl]carbamate; trifluoromethanesulfonate Ethyl N-[1-methyl-4-(2-methylprop-2-enyl)-5-methylsulfanyl-1,2,4-triazol-4-ium-3-yl]carbamate; trifluoromethanesulfonate Ethyl N-[1-methyl-4-(2-methylprop-2-enyl)-5-methylsulfanyl-1,2,4-triazol-4-ium-3-yl]carbamate; tris(fluoranyl)methanesulfonate N-[1-methyl-4-(2-methylallyl)-5-(methylthio)-1,2,4-triazol-4-ium-3-yl]carbamic acid ethyl ester triflate N-[1-methyl-4-(2-methylprop-2-enyl)-5-(methylthio)-1,2,4-triazol-4-ium-3-yl]carbamic acid ethyl ester; trifluoromethanesulfonate N-[1-methyl-4-(2-methylprop-2-enyl)-5-(methylthio)-1,2,4-triazol-4-ium-3-yl]carbamic acid ethyl ester;trifluoromethanesulfonate Ethyl N-[1-methyl-4-(2-methylprop-2-enyl)-5-methylsulfanyl-1,2,4-triazol-4-ium-3-yl]carbamate;trifluoromethanesulfonate Ethyl N-[1-methyl-4-(2-methylallyl)-5-methylsulfanyl-1,2,4-triazol-4-ium-3-yl]carbamate;trifluoromethanesulfonate Ethyl N-[1-methyl-4-(2-methylprop-2-enyl)-5-methylsulfanyl-1,2,4-triazol-4-ium-3-yl]carbamate;tris(fluoranyl)methanesulfonate
Wiley ID 794755