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3-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-chlorobenzenesulfonate
SpectraBase Compound ID 3X6VbWKJxgY
InChI InChI=1S/C17H11ClN2O6S/c18-11-4-6-13(7-5-11)27(24,25)26-12-3-1-2-10(8-12)9-14-15(21)19-17(23)20-16(14)22/h1-9H,(H2,19,20,21,22,23)
InChIKey ARIRSHKZMRTQFN-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 GW59XwJZlcg
Name 3-[(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/c18-11-4-6-13(7-5-11)27(24,25)26-12-3-1-2-10(8-12)9-14-15(21)19-17(23)20-16(14)22/h1-9H,(H2,19,20,21,22,23)
InChIKey ARIRSHKZMRTQFN-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13873
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/1010642; UBI_ID: UBI-013876
Temperature 300 °C