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2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-chlorobenzenesulfonate
SpectraBase Compound ID 1TojWrQu46z
InChI InChI=1S/C17H11ClN2O5S2/c18-11-5-7-12(8-6-11)27(23,24)25-14-4-2-1-3-10(14)9-13-15(21)19-17(26)20-16(13)22/h1-9H,(H2,19,20,21,22,26)
InChIKey GNWAARLCNBBBGH-UHFFFAOYSA-N
Mol Weight 422.86 g/mol
Molecular Formula C17H11ClN2O5S2
Exact Mass 421.979792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 62Da0fK8sux
Name 2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-chlorobenzenesulfonate
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/C17H11ClN2O5S2/c18-11-5-7-12(8-6-11)27(23,24)25-14-4-2-1-3-10(14)9-13-15(21)19-17(26)20-16(13)22/h1-9H,(H2,19,20,21,22,26)
InChIKey GNWAARLCNBBBGH-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14107
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: UZI/1010837; UBI_ID: UBI-014110
Temperature 300 °C