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(E)-3-amino-3-butoxy-2-cyano-2-propenoic acid butyl ester
SpectraBase Compound ID 92xjfG3KwNC
InChI InChI=1S/C12H20N2O3/c1-3-5-7-16-11(14)10(9-13)12(15)17-8-6-4-2/h3-8,14H2,1-2H3/b11-10+
InChIKey JYQSXYPZIQRRMV-ZHACJKMWSA-N
Mol Weight 240.3 g/mol
Molecular Formula C12H20N2O3
Exact Mass 240.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr5EPwSB10G
Name (E)-3-amino-3-butoxy-2-cyano-2-propenoic acid butyl ester
CAS Registry Number 114907-86-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H20N2O3
InChI InChI=1S/C12H20N2O3/c1-3-5-7-16-11(14)10(9-13)12(15)17-8-6-4-2/h3-8,14H2,1-2H3/b11-10+
InChIKey JYQSXYPZIQRRMV-ZHACJKMWSA-N
Molecular Weight 240.303 g/mol
SMILES N\C(=C/(C(=O)OCCCC)C#N)OCCCC
SPLASH splash10-004i-0900000000-19414b401c9285cae270
Source of Spectrum K-121-1820-4
Synonyms (E)-3-amino-3-butoxy-2-cyano-acrylic acid butyl ester butyl (E)-3-amino-3-butoxy-2-cyano-prop-2-enoate butyl (E)-3-azanyl-3-butoxy-2-cyano-prop-2-enoate
Wiley ID 1242751