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3-(3,4-Dimethoxyphenyl)-5-phenyl-4-isoxazolecarboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(3,4-Dimethoxyphenyl)-5-phenyl-4-isoxazolecarboxylic acid ethyl ester
SpectraBase Compound ID 9aUT93nN4BW
InChI InChI=1S/C20H19NO5/c1-4-25-20(22)17-18(14-10-11-15(23-2)16(12-14)24-3)21-26-19(17)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKey KFMIIFCXGCGRJU-UHFFFAOYSA-N
Mol Weight 353.37 g/mol
Molecular Formula C20H19NO5
Exact Mass 353.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElAicAkzzf2
Name 3-(3,4-Dimethoxyphenyl)-5-phenyl-4-isoxazolecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.126322711 u
Formula C20H19NO5
InChI InChI=1S/C20H19NO5/c1-4-25-20(22)17-18(14-10-11-15(23-2)16(12-14)24-3)21-26-19(17)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKey KFMIIFCXGCGRJU-UHFFFAOYSA-N
Molecular Weight 353.374 g/mol
SMILES C=1(C(=NOC1C=1C=CC=CC1)C=1C=C(OC)C(=CC1)OC)C(=O)OCC