For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Isoxazole-4-carboxylic acid, 3-(3-chlorophenyl)-5-methyl-, 8-quinolinyl ester

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

Isoxazole-4-carboxylic acid, 3-(3-chlorophenyl)-5-methyl-, 8-quinolinyl ester
SpectraBase Compound ID HAQsiLPRVY8
InChI InChI=1S/C20H13ClN2O3/c1-12-17(19(23-26-12)14-6-2-8-15(21)11-14)20(24)25-16-9-3-5-13-7-4-10-22-18(13)16/h2-11H,1H3
InChIKey FPHVYACMXOEWKR-UHFFFAOYSA-N
Mol Weight 364.79 g/mol
Molecular Formula C20H13ClN2O3
Exact Mass 364.06147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CKAI0D1zM55
Name Isoxazole-4-carboxylic acid, 3-(3-chlorophenyl)-5-methyl-, 8-quinolinyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.061469984 u
Formula C20H13ClN2O3
InChI InChI=1S/C20H13ClN2O3/c1-12-17(19(23-26-12)14-6-2-8-15(21)11-14)20(24)25-16-9-3-5-13-7-4-10-22-18(13)16/h2-11H,1H3
InChIKey FPHVYACMXOEWKR-UHFFFAOYSA-N
Molecular Weight 364.788 g/mol
SMILES C=1(ON=C(C1C(OC=1C2=NC=CC=C2C=CC1)=O)C1=CC=CC(=C1)Cl)C