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(E)-2-cyano-3-(1H-imidazol-5-yl)-2-propenoic acid methyl ester
SpectraBase Compound ID ExIu1itUBg2
InChI InChI=1S/C8H7N3O2/c1-13-8(12)6(3-9)2-7-4-10-5-11-7/h2,4-5H,1H3,(H,10,11)/b6-2+
InChIKey NKAPZWBDBHSBBI-QHHAFSJGSA-N
Mol Weight 177.16 g/mol
Molecular Formula C8H7N3O2
Exact Mass 177.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hCbT0VDXc
Name (E)-2-cyano-3-(1H-imidazol-5-yl)-2-propenoic acid methyl ester
Alternate Name(s) (E)-2-cyano-3-(1H-imidazol-5-yl)acrylic acid methyl ester Methyl (E)-2-cyano-3-(1H-imidazol-5-yl)prop-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O2
InChI InChI=1S/C8H7N3O2/c1-13-8(12)6(3-9)2-7-4-10-5-11-7/h2,4-5H,1H3,(H,10,11)/b6-2+
InChIKey NKAPZWBDBHSBBI-QHHAFSJGSA-N
Molecular Weight 177.163 g/mol
SMILES [nH]1cncc1\C=C\(C(=O)OC)C#N
SPLASH splash10-004j-2900000000-9796162b13bf1a4c38f4
Source of Spectrum KC-0-2207-16
Wiley ID 823114