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2-{5-[(E)-(1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID Ix25DDDd4Ej
InChI InChI=1S/C22H13BrN2O5S/c23-12-4-3-5-13(10-12)25-20(27)17(19(26)24-22(25)31)11-14-8-9-18(30-14)15-6-1-2-7-16(15)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b17-11+
InChIKey OSMZAPSTSBMZLK-GZTJUZNOSA-N
Mol Weight 497.32 g/mol
Molecular Formula C22H13BrN2O5S
Exact Mass 495.972856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DeHdR9oIdWY
Name 2-{5-[(E)-(1-(3-bromophenyl)-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/C22H13BrN2O5S/c23-12-4-3-5-13(10-12)25-20(27)17(19(26)24-22(25)31)11-14-8-9-18(30-14)15-6-1-2-7-16(15)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b17-11+
InChIKey OSMZAPSTSBMZLK-GZTJUZNOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9625
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: 133632; Labnumber: AREF2K-2482; VK_ID: VK-009629
Synonyms 2-{5-[(1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 315 °C