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4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenyl 4-chlorobenzoate
SpectraBase Compound ID KxW39jbd5HH
InChI InChI=1S/C20H15ClN2O5S/c1-2-27-16-10-11(9-14-17(24)22-20(29)23-18(14)25)3-8-15(16)28-19(26)12-4-6-13(21)7-5-12/h3-10H,2H2,1H3,(H2,22,23,24,25,29)
InChIKey SHEUQOSHZYTUPV-UHFFFAOYSA-N
Mol Weight 430.86 g/mol
Molecular Formula C20H15ClN2O5S
Exact Mass 430.03902 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9bTERI6EB2S
Name 4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenyl 4-chlorobenzoate
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/C20H15ClN2O5S/c1-2-27-16-10-11(9-14-17(24)22-20(29)23-18(14)25)3-8-15(16)28-19(26)12-4-6-13(21)7-5-12/h3-10H,2H2,1H3,(H2,22,23,24,25,29)
InChIKey SHEUQOSHZYTUPV-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_946
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/1007690; UBI_ID: UBI-000947
Temperature 308 °C