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2-[[(E)-3-amino-2-cyano-1-mercapto-3-oxoprop-1-enyl]thio]acetic acid ethyl ester
SpectraBase Compound ID AnT032Yojux
InChI InChI=1S/C8H10N2O3S2/c1-2-13-6(11)4-15-8(14)5(3-9)7(10)12/h14H,2,4H2,1H3,(H2,10,12)/b8-5+
InChIKey TZWIZDDTNAWSSE-VMPITWQZSA-N
Mol Weight 246.3 g/mol
Molecular Formula C8H10N2O3S2
Exact Mass 246.013285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ItcmfgaHI
Name 2-[[(E)-3-amino-2-cyano-1-mercapto-3-oxoprop-1-enyl]thio]acetic acid ethyl ester
Alternate Name(s) 2-[[(E)-3-amino-2-cyano-3-keto-1-mercapto-prop-1-enyl]thio]acetic acid ethyl ester Ethyl 2-[(E)-3-amino-2-cyano-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylacetate Ethyl 2-[(E)-3-azanyl-2-cyano-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylethanoate
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Formula C8H10N2O3S2
InChI InChI=1S/C8H10N2O3S2/c1-2-13-6(11)4-15-8(14)5(3-9)7(10)12/h14H,2,4H2,1H3,(H2,10,12)/b8-5+
InChIKey TZWIZDDTNAWSSE-VMPITWQZSA-N
Molecular Weight 246.299 g/mol
SMILES S\C(=C/(C(=O)N)C#N)SCC(=O)OCC
SPLASH splash10-003u-9500000000-20459490d12fa645e25a
Wiley ID 1451857