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(5E)-1-(4-butylphenyl)-5-{[5-(2-chloro-5-nitrophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID KLBVKfhiIwh
InChI InChI=1S/C25H20ClN3O5S/c1-2-3-4-15-5-7-16(8-6-15)28-24(31)20(23(30)27-25(28)35)14-18-10-12-22(34-18)19-13-17(29(32)33)9-11-21(19)26/h5-14H,2-4H2,1H3,(H,27,30,35)/b20-14+
InChIKey IZNJJHVNCHMXMM-XSFVSMFZSA-N
Mol Weight 509.96 g/mol
Molecular Formula C25H20ClN3O5S
Exact Mass 509.08122 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuPgK6jZdhp
Name (5E)-1-(4-butylphenyl)-5-{[5-(2-chloro-5-nitrophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C25H20ClN3O5S/c1-2-3-4-15-5-7-16(8-6-15)28-24(31)20(23(30)27-25(28)35)14-18-10-12-22(34-18)19-13-17(29(32)33)9-11-21(19)26/h5-14H,2-4H2,1H3,(H,27,30,35)/b20-14+
InChIKey IZNJJHVNCHMXMM-XSFVSMFZSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3215
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: 113130; Labnumber: PAVL-07209; VK_ID: VK-003216
Synonyms 1-(4-butylphenyl)-5-{[5-(2-chloro-5-nitrophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C