2-chloro-5-{3-[(E)-(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

SpectraBase Compound ID	H1SEGBGQ1Hn
InChI	InChI=1S/C26H22ClN3O4S/c1-4-16-5-7-18(8-6-16)30-24(32)21(23(31)28-26(30)35)12-17-11-14(2)29(15(17)3)19-9-10-22(27)20(13-19)25(33)34/h5-13H,4H2,1-3H3,(H,33,34)(H,28,31,35)/b21-12+
InChIKey	TZANZGBCGDHSJH-CIAFOILYSA-N Google Search
Mol Weight	507.99 g/mol
Molecular Formula	C26H22ClN3O4S
Exact Mass	507.101955 g/mol

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SpectraBase Spectrum ID	Au5EZiP8BJb
Name	2-chloro-5-{3-[(E)-(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
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/C26H22ClN3O4S/c1-4-16-5-7-18(8-6-16)30-24(32)21(23(31)28-26(30)35)12-17-11-14(2)29(15(17)3)19-9-10-22(27)20(13-19)25(33)34/h5-13H,4H2,1-3H3,(H,33,34)(H,28,31,35)/b21-12+
InChIKey	TZANZGBCGDHSJH-CIAFOILYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8555
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: UZI/1009325; UBI_ID: UBI-008558
Synonyms	2-chloro-5-{3-[(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Temperature	318 °C