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Acrylic acid, 3-amino-3-cyano-, methyl ester
SpectraBase Compound ID 1fqS2tMzcgb
InChI InChI=1S/C5H6N2O2/c1-9-5(8)2-4(7)3-6/h2H,7H2,1H3/b4-2-
InChIKey JCVFAKPGSCMLES-RQOWECAXSA-N
Mol Weight 126.11 g/mol
Molecular Formula C5H6N2O2
Exact Mass 126.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNidNAii5Ft
Name Acrylic acid, 3-amino-3-cyano-, methyl ester
Alternate Name(s) Methyl (2Z)-3-amino-3-cyano-2-propenoate Methyl (Z)-3-amino-3-cyanoprop-2-enoate
CAS Registry Number 26740-50-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6N2O2
InChI InChI=1S/C5H6N2O2/c1-9-5(8)2-4(7)3-6/h2H,7H2,1H3/b4-2-
InChIKey JCVFAKPGSCMLES-RQOWECAXSA-N
Molecular Weight 126.115 g/mol
SMILES N\C(C#N)=C/C(OC)=O
SPLASH splash10-0005-9000000000-5352b4f9d0b97167bb9b
Wiley ID 1485095