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2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester

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2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester
SpectraBase Compound ID 8VL8Li3UdPP
InChI InChI=1S/C21H19ClN2O6/c1-11-18(19(24-30-11)12-7-5-6-8-14(12)22)20(25)23-15-10-17(28-3)16(27-2)9-13(15)21(26)29-4/h5-10H,1-4H3,(H,23,25)
InChIKey NILNIUDXLTZPOM-UHFFFAOYSA-N
Mol Weight 430.84 g/mol
Molecular Formula C21H19ClN2O6
Exact Mass 430.093164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jykOcD4wTm
Name 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.093164034 u
Formula C21H19ClN2O6
InChI InChI=1S/C21H19ClN2O6/c1-11-18(19(24-30-11)12-7-5-6-8-14(12)22)20(25)23-15-10-17(28-3)16(27-2)9-13(15)21(26)29-4/h5-10H,1-4H3,(H,23,25)
InChIKey NILNIUDXLTZPOM-UHFFFAOYSA-N
Molecular Weight 430.844 g/mol
SMILES C=1(C(=NOC1C)C=1C(Cl)=CC=CC1)C(NC1=C(C=C(C(=C1)OC)OC)C(=O)OC)=O