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2-amino-4-[5-(2,4-dichlorophenyl)-2-furyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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2-amino-4-[5-(2,4-dichlorophenyl)-2-furyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 7SadcyO9N0t
InChI InChI=1S/C22H18Cl2N2O3/c1-22(2)8-15(27)20-18(9-22)29-21(26)13(10-25)19(20)17-6-5-16(28-17)12-4-3-11(23)7-14(12)24/h3-7,19H,8-9,26H2,1-2H3
InChIKey NVWIMOCMUSNXRD-UHFFFAOYSA-N
Mol Weight 429.3 g/mol
Molecular Formula C22H18Cl2N2O3
Exact Mass 428.069448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xnG7qB0oey
Name 2-Amino-4-[5-(2,4-dichlorophenyl)-2-furyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.069447845 u
Formula C22H18Cl2N2O3
InChI InChI=1S/C22H18Cl2N2O3/c1-22(2)8-15(27)20-18(9-22)29-21(26)13(10-25)19(20)17-6-5-16(28-17)12-4-3-11(23)7-14(12)24/h3-7,19H,8-9,26H2,1-2H3
InChIKey NVWIMOCMUSNXRD-UHFFFAOYSA-N
Molecular Weight 429.303 g/mol
SMILES NC1=C(C(C=2C(CC(CC2O1)(C)C)=O)C=1OC(C2=C(C=C(C=C2)Cl)Cl)=CC1)C#N