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(E)-3-amino-3-chloro-2-cyano-acrylic acid methyl ester
SpectraBase Compound ID LF28ZmL88Mu
InChI InChI=1S/C5H5ClN2O2/c1-10-5(9)3(2-7)4(6)8/h8H2,1H3/b4-3-
InChIKey NTIJXQUOMNWMEV-ARJAWSKDSA-N
Mol Weight 160.56 g/mol
Molecular Formula C5H5ClN2O2
Exact Mass 160.003955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Cxoiq7PJhg
Name (E)-3-amino-3-chloro-2-cyano-2-propenoic acid methyl ester
Alternate Name(s) (E)-3-amino-3-chloro-2-cyano-acrylic acid methyl ester Methyl (E)-3-amino-3-chloro-2-cyano-prop-2-enoate Methyl (E)-3-azanyl-3-chloranyl-2-cyano-prop-2-enoate
CAS Registry Number 114907-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5ClN2O2
InChI InChI=1S/C5H5ClN2O2/c1-10-5(9)3(2-7)4(6)8/h8H2,1H3/b4-3-
InChIKey NTIJXQUOMNWMEV-ARJAWSKDSA-N
Molecular Weight 160.560 g/mol
SMILES N\C(=C/(C(=O)OC)C#N)Cl
SPLASH splash10-0a6r-7900000000-f07da922fa33dde91375
Source of Spectrum K-121-1819-2
Wiley ID 1156388