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Ethyl 3-amino-4,4,4-trifluoro-2-thia-2-butenoate dimer
SpectraBase Compound ID 9eHfv62xcTO
InChI InChI=1S/C12H14F6N2O4S2/c1-3-23-9(21)5(7(19)11(13,14)15)25-26-6(10(22)24-4-2)8(20)12(16,17)18/h3-4,19-20H2,1-2H3/b7-5+,8-6+
InChIKey MCEAVYNPFMLPEW-KQQUZDAGSA-N
Mol Weight 428.36 g/mol
Molecular Formula C12H14F6N2O4S2
Exact Mass 428.029918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKsbXPHe15J
Name Ethyl 3-amino-4,4,4-trifluoro-2-thia-2-butenoate dimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14F6N2O4S2
InChI InChI=1S/C12H14F6N2O4S2/c1-3-23-9(21)5(7(19)11(13,14)15)25-26-6(10(22)24-4-2)8(20)12(16,17)18/h3-4,19-20H2,1-2H3/b7-5+,8-6+
InChIKey MCEAVYNPFMLPEW-KQQUZDAGSA-N
Molecular Weight 428.364 g/mol
SMILES N\C(=C/(SS\C(=C\(C(F)(F)F)N)C(=O)OCC)C(=O)OCC)C(F)(F)F
SPLASH splash10-014l-0920100000-bb0c1cf306ae5e135e02
Source of Spectrum AT-40-6442-7
Wiley ID 854604