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4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, (4-methoxyphenyl)methyl ester

View entire compound with spectra: 2 NMR

4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, (4-methoxyphenyl)methyl ester
SpectraBase Compound ID HWTbsinxx9E
InChI InChI=1S/C19H16ClNO4/c1-12-17(18(21-25-12)15-5-3-4-6-16(15)20)19(22)24-11-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3
InChIKey QLUVJYRQZIIBBS-UHFFFAOYSA-N
Mol Weight 357.79 g/mol
Molecular Formula C19H16ClNO4
Exact Mass 357.076786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyoAHeILtPJ
Name 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, (4-methoxyphenyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.076785695 u
Formula C19H16ClNO4
InChI InChI=1S/C19H16ClNO4/c1-12-17(18(21-25-12)15-5-3-4-6-16(15)20)19(22)24-11-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3
InChIKey QLUVJYRQZIIBBS-UHFFFAOYSA-N
Molecular Weight 357.793 g/mol
SMILES C=1(C(C(OCC=2C=CC(=CC2)OC)=O)=C(C)ON1)C=1C(Cl)=CC=CC1