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(5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID ImjNQaYNR6S
InChI InChI=1S/C19H18BrN3O2S/c1-19(2,3)22-10-4-5-14(22)11-15-16(24)21-18(26)23(17(15)25)13-8-6-12(20)7-9-13/h4-11H,1-3H3,(H,21,24,26)/b15-11-
InChIKey CCLKJXMKMZTOJB-PTNGSMBKSA-N
Mol Weight 432.34 g/mol
Molecular Formula C19H18BrN3O2S
Exact Mass 431.030311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KcTnv1dtxCD
Name (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylene]-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/C19H18BrN3O2S/c1-19(2,3)22-10-4-5-14(22)11-15-16(24)21-18(26)23(17(15)25)13-8-6-12(20)7-9-13/h4-11H,1-3H3,(H,21,24,26)/b15-11-
InChIKey CCLKJXMKMZTOJB-PTNGSMBKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8319
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: D36108; Labnumber: SPDEM4-22143; SBI_ID: SBI-008322
Synonyms 1-(4-bromophenyl)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C