3-{5-[(E)-(1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid

SpectraBase Compound ID	2o06EhgQX9o
InChI	InChI=1S/C26H22N2O5S/c1-2-3-5-16-8-10-19(11-9-16)28-24(30)21(23(29)27-26(28)34)15-20-12-13-22(33-20)17-6-4-7-18(14-17)25(31)32/h4,6-15H,2-3,5H2,1H3,(H,31,32)(H,27,29,34)/b21-15+
InChIKey	RZOULBXFMNCMDN-RCCKNPSSSA-N Google Search
Mol Weight	474.53 g/mol
Molecular Formula	C26H22N2O5S
Exact Mass	474.124943 g/mol

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SpectraBase Spectrum ID	GAREJgMInUz
Name	3-{5-[(E)-(1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}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/C26H22N2O5S/c1-2-3-5-16-8-10-19(11-9-16)28-24(30)21(23(29)27-26(28)34)15-20-12-13-22(33-20)17-6-4-7-18(14-17)25(31)32/h4,6-15H,2-3,5H2,1H3,(H,31,32)(H,27,29,34)/b21-15+
InChIKey	RZOULBXFMNCMDN-RCCKNPSSSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3214
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: 113129; Labnumber: PAVL-07208; VK_ID: VK-003215
Synonyms	3-{5-[(1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature	308 °C