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4-chloro-2-{5-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 7p1ZwzM8uxV
InChI InChI=1S/C20H17ClN2O5S/c1-3-22-17(24)15(18(25)23(4-2)20(22)29)10-12-6-8-16(28-12)14-9-11(21)5-7-13(14)19(26)27/h5-10H,3-4H2,1-2H3,(H,26,27)
InChIKey QQWLAWFUUYQHKP-UHFFFAOYSA-N
Mol Weight 432.88 g/mol
Molecular Formula C20H17ClN2O5S
Exact Mass 432.054671 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FFBwDDvTiSh
Name 4-chloro-2-{5-[(1,3-diethyl-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/C20H17ClN2O5S/c1-3-22-17(24)15(18(25)23(4-2)20(22)29)10-12-6-8-16(28-12)14-9-11(21)5-7-13(14)19(26)27/h5-10H,3-4H2,1-2H3,(H,26,27)
InChIKey QQWLAWFUUYQHKP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7937
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: D47920; Labnumber: SPDEM4-17725; SBI_ID: SBI-007940
Temperature 318 °C