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4-bromo-2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl benzenesulfonate
SpectraBase Compound ID Gs5G1VR4mX0
InChI InChI=1S/C17H11BrN2O5S2/c18-11-6-7-14(25-27(23,24)12-4-2-1-3-5-12)10(8-11)9-13-15(21)19-17(26)20-16(13)22/h1-9H,(H2,19,20,21,22,26)
InChIKey YDBJSCVKYBQAIM-UHFFFAOYSA-N
Mol Weight 467.31 g/mol
Molecular Formula C17H11BrN2O5S2
Exact Mass 465.929277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JKphSj3PrMw
Name 4-bromo-2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl benzenesulfonate
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/C17H11BrN2O5S2/c18-11-6-7-14(25-27(23,24)12-4-2-1-3-5-12)10(8-11)9-13-15(21)19-17(26)20-16(13)22/h1-9H,(H2,19,20,21,22,26)
InChIKey YDBJSCVKYBQAIM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7678
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: 9326160; UBI_ID: UBI-007681
Temperature 308 °C