4-[(N-(2-chlorobenzoyl)-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

SpectraBase Compound ID	CePTN7sfwFX
InChI	InChI=1S/C23H22ClFN2O3/c1-4-30-23(29)21-14(2)19(15(3)26-21)13-27(17-11-9-16(25)10-12-17)22(28)18-7-5-6-8-20(18)24/h5-12,26H,4,13H2,1-3H3
InChIKey	LEJQLKLPWGAHCB-UHFFFAOYSA-N Google Search
Mol Weight	428.89 g/mol
Molecular Formula	C23H22ClFN2O3
Exact Mass	428.130298 g/mol

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SpectraBase Spectrum ID	5MDtbuE8nAr
Name	1H-pyrrole-2-carboxylic acid, 4-[[(2-chlorobenzoyl)(4-fluorophenyl)amino]methyl]-3,5-dimethyl-, 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	428.130298436 u
Formula	C23H22ClFN2O3
InChI	InChI=1S/C23H22ClFN2O3/c1-4-30-23(29)21-14(2)19(15(3)26-21)13-27(17-11-9-16(25)10-12-17)22(28)18-7-5-6-8-20(18)24/h5-12,26H,4,13H2,1-3H3
InChIKey	LEJQLKLPWGAHCB-UHFFFAOYSA-N
Molecular Weight	428.891 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17690
Solvent	DMSO-d6
Source	Vendor ID: NMR/10310786; Lab Info: KOVA; Lab Number: KOVA-0000084