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ethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

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ethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID 7vI4dTcouQO
InChI InChI=1S/C20H22ClNO4/c1-4-25-19(24)17-15(11-5-7-12(21)8-6-11)16-13(23)9-20(2,3)10-14(16)26-18(17)22/h5-8,15H,4,9-10,22H2,1-3H3
InChIKey PEDLPMDMVMZDAK-UHFFFAOYSA-N
Mol Weight 375.85 g/mol
Molecular Formula C20H22ClNO4
Exact Mass 375.123736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrFBCX4vRqI
Name Ethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.123735888 u
Formula C20H22ClNO4
InChI InChI=1S/C20H22ClNO4/c1-4-25-19(24)17-15(11-5-7-12(21)8-6-11)16-13(23)9-20(2,3)10-14(16)26-18(17)22/h5-8,15H,4,9-10,22H2,1-3H3
InChIKey PEDLPMDMVMZDAK-UHFFFAOYSA-N
Molecular Weight 375.852 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)C1=CC=C(C=C1)Cl)C(=O)OCC