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Ethyl 3-cyano-3-amido-2,4-diphenylcyclobutene-1-carboxylate isomer
SpectraBase Compound ID 5UulUl8nvGS
InChI InChI=1S/C21H18N2O3/c1-2-26-19(24)16-17(14-9-5-3-6-10-14)21(13-22,20(23)25)18(16)15-11-7-4-8-12-15/h3-12,17H,2H2,1H3,(H2,23,25)
InChIKey XIGLGQXAGRZJQB-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C21H18N2O3
Exact Mass 346.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ziJ5lqv4T5
Name Ethyl 3-cyano-3-amido-2,4-diphenylcyclobutene-1-carboxylate isomer
Alternate Name(s) 3-carbamoyl-3-cyano-2,4-diphenyl-1-cyclobutenecarboxylic acid ethyl ester Ethyl 3-carbamoyl-3-cyano-2,4-diphenylcyclobutene-1-carboxylate Ethyl 3-carbamoyl-3-cyano-2,4-diphenyl-cyclobutene-1-carboxylate Ethyl 3-aminocarbonyl-3-cyano-2,4-diphenyl-cyclobutene-1-carboxylate
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Formula C21H18N2O3
InChI InChI=1S/C21H18N2O3/c1-2-26-19(24)16-17(14-9-5-3-6-10-14)21(13-22,20(23)25)18(16)15-11-7-4-8-12-15/h3-12,17H,2H2,1H3,(H2,23,25)
InChIKey XIGLGQXAGRZJQB-UHFFFAOYSA-N
Molecular Weight 346.386 g/mol
SMILES NC(C1(C(c2ccccc2)=C(C1c1ccccc1)C(=O)OCC)C#N)=O
SPLASH splash10-00di-0190000000-8e890a41611b98e35b2e
Source of Spectrum KC-0-3404-11
Wiley ID 823961