benzoic acid, 4-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-, 1-methylethyl ester

SpectraBase Compound ID	JwRHht2E9U1
InChI	InChI=1S/C21H19ClN2O4/c1-12(2)27-21(26)14-8-10-15(11-9-14)23-20(25)18-13(3)28-24-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H,23,25)
InChIKey	QKQNTJJDECINNU-UHFFFAOYSA-N Google Search
Mol Weight	398.85 g/mol
Molecular Formula	C21H19ClN2O4
Exact Mass	398.103335 g/mol

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SpectraBase Spectrum ID	244cezL6UXz
Name	benzoic acid, 4-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-, 1-methylethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H19ClN2O4/c1-12(2)27-21(26)14-8-10-15(11-9-14)23-20(25)18-13(3)28-24-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H,23,25)
InChIKey	QKQNTJJDECINNU-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_3691
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/10238485