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5-{[5-(4-chloro-3-nitrophenyl)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID CD7zoJIzsFD
InChI InChI=1S/C17H12ClN3O5S/c1-19-15(22)11(16(23)20(2)17(19)27)8-10-4-6-14(26-10)9-3-5-12(18)13(7-9)21(24)25/h3-8H,1-2H3
InChIKey GIUSKHYFIVTWAR-UHFFFAOYSA-N
Mol Weight 405.81 g/mol
Molecular Formula C17H12ClN3O5S
Exact Mass 405.018619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 15pMThGdaGs
Name 5-{[5-(4-chloro-3-nitrophenyl)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C17H12ClN3O5S/c1-19-15(22)11(16(23)20(2)17(19)27)8-10-4-6-14(26-10)9-3-5-12(18)13(7-9)21(24)25/h3-8H,1-2H3
InChIKey GIUSKHYFIVTWAR-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8358
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: 9685918; UBI_ID: UBI-008361
Temperature 308 °C