4-[4-[chloro(difluoro)methoxy]anilino]-6-methoxy-3-quinolinecarboxylic acid ethyl ester

SpectraBase Compound ID	IAnPQZFqMC8
InChI	InChI=1S/C20H17ClF2N2O4/c1-3-28-19(26)16-11-24-17-9-8-14(27-2)10-15(17)18(16)25-12-4-6-13(7-5-12)29-20(21,22)23/h4-11H,3H2,1-2H3,(H,24,25)
InChIKey	UUSPXZAVUFAEOT-UHFFFAOYSA-N Google Search
Mol Weight	422.82 g/mol
Molecular Formula	C20H17ClF2N2O4
Exact Mass	422.084491 g/mol

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SpectraBase Spectrum ID	H2LzzIYq3IO
Name	3-quinolinecarboxylic acid, 4-[[4-(chlorodifluoromethoxy)phenyl]amino]-6-methoxy-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	422.084491057 u
Formula	C20H17ClF2N2O4
InChI	InChI=1S/C20H17ClF2N2O4/c1-3-28-19(26)16-11-24-17-9-8-14(27-2)10-15(17)18(16)25-12-4-6-13(7-5-12)29-20(21,22)23/h4-11H,3H2,1-2H3,(H,24,25)
InChIKey	UUSPXZAVUFAEOT-UHFFFAOYSA-N
Molecular Weight	422.816 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_10158
Solvent	DMSO-d6
Source	Vendor ID: NMR/10241017; Lab Info: DS; Lab Number: DS-S001146
Temperature	29.85 °C