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(E)-3-amino-3-(butylthio)-2-cyano-acrylic acid methyl ester
SpectraBase Compound ID 36SoPcmQgox
InChI InChI=1S/C9H14N2O2S/c1-3-4-5-14-8(11)7(6-10)9(12)13-2/h3-5,11H2,1-2H3/b8-7+
InChIKey HQINFNQARLMACZ-BQYQJAHWSA-N
Mol Weight 214.28 g/mol
Molecular Formula C9H14N2O2S
Exact Mass 214.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUBOEcQStDv
Name (E)-3-amino-3-(butylthio)-2-cyano-2-propenoic acid methyl ester
CAS Registry Number 114907-84-5
Comments Less than 3 mono-isotopic peaks
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Formula C9H14N2O2S
InChI InChI=1S/C9H14N2O2S/c1-3-4-5-14-8(11)7(6-10)9(12)13-2/h3-5,11H2,1-2H3/b8-7+
InChIKey HQINFNQARLMACZ-BQYQJAHWSA-N
Molecular Weight 214.283 g/mol
SMILES N\C(=C/(C(=O)OC)C#N)SCCCC
SPLASH splash10-0a4i-0940000000-a9c7eb4c0581f3239812
Source of Spectrum K-121-1820-3
Synonyms (E)-3-amino-3-(butylthio)-2-cyano-acrylic acid methyl ester methyl (E)-3-amino-3-butylsulfanyl-2-cyano-prop-2-enoate methyl (E)-3-azanyl-3-butylsulfanyl-2-cyano-prop-2-enoate
Wiley ID 1213107