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(E)-3-amino-2-cyano-3-iodo-acrylic acid methyl ester
SpectraBase Compound ID 10R2CaVBNOI
InChI InChI=1S/C5H5IN2O2/c1-10-5(9)3(2-7)4(6)8/h8H2,1H3/b4-3-
InChIKey NOZFFGHEAIAZEE-ARJAWSKDSA-N
Mol Weight 252.01 g/mol
Molecular Formula C5H5IN2O2
Exact Mass 251.939572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjIVGyWCS7g
Name (E)-3-amino-2-cyano-3-iodo-2-propenoic acid methyl ester
Alternate Name(s) (E)-3-amino-2-cyano-3-iodo-acrylic acid methyl ester Methyl (E)-3-amino-2-cyano-3-iodo-prop-2-enoate Methyl (E)-3-azanyl-2-cyano-3-iodanyl-prop-2-enoate
CAS Registry Number 114907-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5IN2O2
InChI InChI=1S/C5H5IN2O2/c1-10-5(9)3(2-7)4(6)8/h8H2,1H3/b4-3-
InChIKey NOZFFGHEAIAZEE-ARJAWSKDSA-N
Molecular Weight 252.011 g/mol
SMILES N\C(=C/(C(=O)OC)C#N)I
SPLASH splash10-004i-0930000000-8e1b5e53202ee267dccc
Source of Spectrum K-121-1820-2
Wiley ID 1254876