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5-Amino-4'-chloro-4,6-dicyano-biphenyl-2,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID FAigqaUahI8
InChI InChI=1S/C20H16ClN3O4/c1-3-27-19(25)16-14(10-23)18(24)13(9-22)15(17(16)20(26)28-4-2)11-5-7-12(21)8-6-11/h5-8H,3-4,24H2,1-2H3
InChIKey QSQCLSSZSJARTG-UHFFFAOYSA-N
Mol Weight 397.82 g/mol
Molecular Formula C20H16ClN3O4
Exact Mass 397.082934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITDpgqXXt49
Name 5-Amino-3-(4-chlorophenyl)-4,6-dicyano-benzene-1,2-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 5-amino-3-(4-chlorophenyl)-4,6-dicyano-benzene-1,2-dicarboxylate Diethyl 5-azanyl-3-(4-chlorophenyl)-4,6-dicyano-benzene-1,2-dicarboxylate 5-Amino-3-(4-chlorophenyl)-4,6-dicyanobenzene-1,2-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN3O4
InChI InChI=1S/C20H16ClN3O4/c1-3-27-19(25)16-14(10-23)18(24)13(9-22)15(17(16)20(26)28-4-2)11-5-7-12(21)8-6-11/h5-8H,3-4,24H2,1-2H3
InChIKey QSQCLSSZSJARTG-UHFFFAOYSA-N
Molecular Weight 397.818 g/mol
SMILES Nc1c(c(c(C(=O)OCC)c(c1C#N)-c1ccc(cc1)Cl)C(=O)OCC)C#N
SPLASH splash10-0l0f-9236000000-0ad3dd8e6160734d42a2
Source of Spectrum D1-2007-2499-3
Wiley ID 1639545