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2-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-chlorobenzenesulfonate
SpectraBase Compound ID Ek3bM0PZiWN
InChI InChI=1S/C17H11ClN2O6S/c18-11-5-7-12(8-6-11)27(24,25)26-14-4-2-1-3-10(14)9-13-15(21)19-17(23)20-16(13)22/h1-9H,(H2,19,20,21,22,23)
InChIKey LHZIZLVLOKQWPM-UHFFFAOYSA-N
Mol Weight 406.8 g/mol
Molecular Formula C17H11ClN2O6S
Exact Mass 406.002635 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZT8fE7JaIt
Name 2-[(2,4,6-trioxotetrahydro-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/C17H11ClN2O6S/c18-11-5-7-12(8-6-11)27(24,25)26-14-4-2-1-3-10(14)9-13-15(21)19-17(23)20-16(13)22/h1-9H,(H2,19,20,21,22,23)
InChIKey LHZIZLVLOKQWPM-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13483
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/1010292; UBI_ID: UBI-013486
Temperature 300 °C