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2-amino-4-(o-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylic acid, ethyl ester

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2-amino-4-(o-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylic acid, ethyl ester
SpectraBase Compound ID HdJitA1yIk4
InChI InChI=1S/C21H17ClN2O3/c1-2-26-21(25)18-17(14-10-6-7-11-16(14)22)15(12-23)19(27-20(18)24)13-8-4-3-5-9-13/h3-11,17H,2,24H2,1H3
InChIKey WUDXIQWBFQIIAQ-UHFFFAOYSA-N
Mol Weight 380.83 g/mol
Molecular Formula C21H17ClN2O3
Exact Mass 380.09277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsvTEiB1Xny
Name 2-Amino-4-(o-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.092770112 u
Formula C21H17ClN2O3
InChI InChI=1S/C21H17ClN2O3/c1-2-26-21(25)18-17(14-10-6-7-11-16(14)22)15(12-23)19(27-20(18)24)13-8-4-3-5-9-13/h3-11,17H,2,24H2,1H3
InChIKey WUDXIQWBFQIIAQ-UHFFFAOYSA-N
Molecular Weight 380.831 g/mol
SMILES NC1=C(C(C(=C(O1)C=1C=CC=CC1)C#N)C=1C=CC=CC1Cl)C(OCC)=O