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(5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 2nhxcYUgJLC
InChI InChI=1S/C16H10BrClN2O3S2/c1-20-14(22)11(13(21)19-16(20)24)6-9-7-12(17)15(23-9)25-10-4-2-8(18)3-5-10/h2-7H,1H3,(H,19,21,24)/b11-6+
InChIKey QCURAKYCVKVGAX-IZZDOVSWSA-N
Mol Weight 457.74 g/mol
Molecular Formula C16H10BrClN2O3S2
Exact Mass 455.900475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ap0InDXuOyB
Name (5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-methyl-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/C16H10BrClN2O3S2/c1-20-14(22)11(13(21)19-16(20)24)6-9-7-12(17)15(23-9)25-10-4-2-8(18)3-5-10/h2-7H,1H3,(H,19,21,24)/b11-6+
InChIKey QCURAKYCVKVGAX-IZZDOVSWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22810
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: D35839; Labnumber: SPDEM4-15291; SBI_ID: SBI-022814
Synonyms 5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C