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Ethyl 3-cyano-3-amido-2-methyl-4-phenylcyclobutene-1-carboxylate isomer
SpectraBase Compound ID 3umP986mxqu
InChI InChI=1S/C16H16N2O3/c1-3-21-14(19)12-10(2)16(9-17,15(18)20)13(12)11-7-5-4-6-8-11/h4-8,13H,3H2,1-2H3,(H2,18,20)
InChIKey BNTOZHMWEMVUKJ-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C16H16N2O3
Exact Mass 284.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZUArbhtBlB
Name Ethyl 3-cyano-3-amido-2-methyl-4-phenylcyclobutene-1-carboxylate isomer
Alternate Name(s) 3-carbamoyl-3-cyano-2-methyl-4-phenyl-1-cyclobutenecarboxylic acid ethyl ester Ethyl 3-carbamoyl-3-cyano-2-methyl-4-phenylcyclobutene-1-carboxylate Ethyl 3-carbamoyl-3-cyano-2-methyl-4-phenyl-cyclobutene-1-carboxylate Ethyl 3-aminocarbonyl-3-cyano-2-methyl-4-phenyl-cyclobutene-1-carboxylate
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Formula C16H16N2O3
InChI InChI=1S/C16H16N2O3/c1-3-21-14(19)12-10(2)16(9-17,15(18)20)13(12)11-7-5-4-6-8-11/h4-8,13H,3H2,1-2H3,(H2,18,20)
InChIKey BNTOZHMWEMVUKJ-UHFFFAOYSA-N
Molecular Weight 284.315 g/mol
SMILES NC(C1(C(C)=C(C1c1ccccc1)C(=O)OCC)C#N)=O
SPLASH splash10-03di-0190000000-86e4cd35f90ff5d7ff60
Source of Spectrum KC-0-3405-11
Wiley ID 823960