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5-ethyl 3-methyl 2-amino-4-(4-chlorophenyl)-6-methyl-4H-pyran-3,5-dicarboxylate

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5-ethyl 3-methyl 2-amino-4-(4-chlorophenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
SpectraBase Compound ID 5gH98j9txEm
InChI InChI=1S/C17H18ClNO5/c1-4-23-17(21)12-9(2)24-15(19)14(16(20)22-3)13(12)10-5-7-11(18)8-6-10/h5-8,13H,4,19H2,1-3H3
InChIKey IVNAULMUMIWFAU-UHFFFAOYSA-N
Mol Weight 351.79 g/mol
Molecular Formula C17H18ClNO5
Exact Mass 351.08735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfPdRWWjnMc
Name 5-Ethyl 3-methyl 2-amino-4-(4-chlorophenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.087350379 u
Formula C17H18ClNO5
InChI InChI=1S/C17H18ClNO5/c1-4-23-17(21)12-9(2)24-15(19)14(16(20)22-3)13(12)10-5-7-11(18)8-6-10/h5-8,13H,4,19H2,1-3H3
InChIKey IVNAULMUMIWFAU-UHFFFAOYSA-N
Molecular Weight 351.786 g/mol
SMILES NC1=C(C(C(=C(C)O1)C(=O)OCC)C=1C=CC(=CC1)Cl)C(=O)OC