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2-chloro-5-{5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 9CeooYzn2jB
InChI InChI=1S/C18H13ClN2O5S/c1-20-15(22)12(16(23)21(2)18(20)27)8-10-4-6-14(26-10)9-3-5-13(19)11(7-9)17(24)25/h3-8H,1-2H3,(H,24,25)
InChIKey FYANRCGIYYJLTE-UHFFFAOYSA-N
Mol Weight 404.82 g/mol
Molecular Formula C18H13ClN2O5S
Exact Mass 404.02337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6JQGuBVI9P8
Name 2-chloro-5-{5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
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/C18H13ClN2O5S/c1-20-15(22)12(16(23)21(2)18(20)27)8-10-4-6-14(26-10)9-3-5-13(19)11(7-9)17(24)25/h3-8H,1-2H3,(H,24,25)
InChIKey FYANRCGIYYJLTE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13507
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/1010372; UBI_ID: UBI-013510
Temperature 315 °C