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(E)-3-amino-3-bromo-2-cyano-acrylic acid methyl ester
SpectraBase Compound ID EM1XtXqW8XM
InChI InChI=1S/C5H5BrN2O2/c1-10-5(9)3(2-7)4(6)8/h8H2,1H3/b4-3-
InChIKey BDKJKCGFJPUYPA-ARJAWSKDSA-N
Mol Weight 205.01 g/mol
Molecular Formula C5H5BrN2O2
Exact Mass 203.95344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fb3I2vScQrP
Name (E)-3-amino-3-bromo-2-cyano-2-propenoic acid methyl ester
Alternate Name(s) (E)-3-amino-3-bromo-2-cyano-acrylic acid methyl ester Methyl (E)-3-amino-3-bromo-2-cyano-prop-2-enoate Methyl (E)-3-azanyl-3-bromanyl-2-cyano-prop-2-enoate
CAS Registry Number 114907-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5BrN2O2
InChI InChI=1S/C5H5BrN2O2/c1-10-5(9)3(2-7)4(6)8/h8H2,1H3/b4-3-
InChIKey BDKJKCGFJPUYPA-ARJAWSKDSA-N
Molecular Weight 205.011 g/mol
SMILES N\C(=C/(C(=O)OC)C#N)Br
SPLASH splash10-004i-0920000000-316d0c0daa7b6a8d4db2
Source of Spectrum K-121-1819-2
Wiley ID 1201125