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Ethyl 3-cyano-3-amido-4-isopropyl-2-phenylcyclobutene-1-carboxylate isomer
SpectraBase Compound ID LepBndTR2U7
InChI InChI=1S/C18H20N2O3/c1-4-23-16(21)13-14(11(2)3)18(10-19,17(20)22)15(13)12-8-6-5-7-9-12/h5-9,11,14H,4H2,1-3H3,(H2,20,22)
InChIKey HLCAKCGLNFYLBE-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C18H20N2O3
Exact Mass 312.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7CDw6cpabP
Name Ethyl 3-cyano-3-amido-4-isopropyl-2-phenylcyclobutene-1-carboxylate isomer
Alternate Name(s) 3-carbamoyl-3-cyano-2-phenyl-4-propan-2-yl-1-cyclobutenecarboxylic acid ethyl ester 3-carbamoyl-3-cyano-4-isopropyl-2-phenyl-cyclobutene-1-carboxylic acid ethyl ester Ethyl 3-carbamoyl-3-cyano-2-phenyl-4-propan-2-ylcyclobutene-1-carboxylate Ethyl 3-aminocarbonyl-3-cyano-2-phenyl-4-propan-2-yl-cyclobutene-1-carboxylate Ethyl 3-carbamoyl-3-cyano-4-isopropyl-2-phenyl-cyclobutene-1-carboxylate
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Formula C18H20N2O3
InChI InChI=1S/C18H20N2O3/c1-4-23-16(21)13-14(11(2)3)18(10-19,17(20)22)15(13)12-8-6-5-7-9-12/h5-9,11,14H,4H2,1-3H3,(H2,20,22)
InChIKey HLCAKCGLNFYLBE-UHFFFAOYSA-N
Molecular Weight 312.369 g/mol
SMILES NC(C1(C(c2ccccc2)=C(C1C(C)C)C(=O)OCC)C#N)=O
SPLASH splash10-014i-0190000000-c922449789eee5cf11cd
Source of Spectrum KC-0-3404-11
Wiley ID 823963