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Methyl 2-(thiocyano)-3-amino-2-butenoate
SpectraBase Compound ID Bv1ppUUChKd
InChI InChI=1S/C6H8N2O2S/c1-4(8)5(11-3-7)6(9)10-2/h8H2,1-2H3/b5-4-
InChIKey IUGCXRLGVBOJCT-PLNGDYQASA-N
Mol Weight 172.2 g/mol
Molecular Formula C6H8N2O2S
Exact Mass 172.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B25u2sXsEiX
Name Methyl 2-(thiocyano)-3-amino-2-butenoate
Alternate Name(s) Methyl (2Z)-3-amino-2-(cyanosulfanyl)-2-butenoate (Z)-3-amino-2-thiocyanato-2-butenoic acid methyl ester Methyl (Z)-3-amino-2-thiocyanatobut-2-enoate Methyl (Z)-3-amino-2-thiocyanato-but-2-enoate Methyl (Z)-3-azanyl-2-thiocyanato-but-2-enoate
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Formula C6H8N2O2S
InChI InChI=1S/C6H8N2O2S/c1-4(8)5(11-3-7)6(9)10-2/h8H2,1-2H3/b5-4-
InChIKey IUGCXRLGVBOJCT-PLNGDYQASA-N
Molecular Weight 172.202 g/mol
SMILES N\C(=C\(C(=O)OC)SC#N)C
SPLASH splash10-01p6-9400000000-b4912844074830283e9e
Source of Spectrum HE-2004-554-4
Wiley ID 1581678