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(5E)-5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-chlorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-chlorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID B8tZWVRLLxA
InChI InChI=1S/C27H26ClN3O2S/c1-4-5-6-19-7-11-22(12-8-19)30-17(2)15-20(18(30)3)16-24-25(32)29-27(34)31(26(24)33)23-13-9-21(28)10-14-23/h7-16H,4-6H2,1-3H3,(H,29,32,34)/b24-16+
InChIKey WGNKBZCKVLWKON-LFVJCYFKSA-N
Mol Weight 492.04 g/mol
Molecular Formula C27H26ClN3O2S
Exact Mass 491.143426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jvb4qepcroF
Name (5E)-5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-chlorophenyl)-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/C27H26ClN3O2S/c1-4-5-6-19-7-11-22(12-8-19)30-17(2)15-20(18(30)3)16-24-25(32)29-27(34)31(26(24)33)23-13-9-21(28)10-14-23/h7-16H,4-6H2,1-3H3,(H,29,32,34)/b24-16+
InChIKey WGNKBZCKVLWKON-LFVJCYFKSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13495
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/1010345; UBI_ID: UBI-013498
Synonyms 5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-chlorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 300 °C