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(E)-3-amino-3-chloro-2-cyano-acrylic acid benzyl ester
SpectraBase Compound ID G50wzcgGuSm
InChI InChI=1S/C11H9ClN2O2/c12-10(14)9(6-13)11(15)16-7-8-4-2-1-3-5-8/h1-5H,7,14H2/b10-9-
InChIKey IYFQXTBFDCWPRV-KTKRTIGZSA-N
Mol Weight 236.66 g/mol
Molecular Formula C11H9ClN2O2
Exact Mass 236.035255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lI4JRJTRev
Name (E)-3-amino-3-chloro-2-cyano-2-propenoic acid (phenylmethyl) ester
Alternate Name(s) (E)-3-amino-3-chloro-2-cyano-acrylic acid benzyl ester (phenylmethyl) (E)-3-azanyl-3-chloranyl-2-cyano-prop-2-enoate benzyl (E)-3-amino-3-chloro-2-cyano-prop-2-enoate
CAS Registry Number 114907-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9ClN2O2
InChI InChI=1S/C11H9ClN2O2/c12-10(14)9(6-13)11(15)16-7-8-4-2-1-3-5-8/h1-5H,7,14H2/b10-9-
InChIKey IYFQXTBFDCWPRV-KTKRTIGZSA-N
Molecular Weight 236.658 g/mol
SMILES N\C(=C/(C(OCc1ccccc1)=O)C#N)Cl
SPLASH splash10-0006-9030000000-259eab9eca1548f1cb4b
Source of Spectrum K-121-1819-2
Wiley ID 1237722