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5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID LBzOkUTSpiz
InChI InChI=1S/C29H22ClN3O2S/c1-19-17-21(20(2)31(19)25-15-13-22(30)14-16-25)18-26-27(34)32(23-9-5-3-6-10-23)29(36)33(28(26)35)24-11-7-4-8-12-24/h3-18H,1-2H3
InChIKey BVNYQOAUWMTTJP-UHFFFAOYSA-N
Mol Weight 512.03 g/mol
Molecular Formula C29H22ClN3O2S
Exact Mass 511.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KET1V5DhMFg
Name 5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-diphenyl-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/C29H22ClN3O2S/c1-19-17-21(20(2)31(19)25-15-13-22(30)14-16-25)18-26-27(34)32(23-9-5-3-6-10-23)29(36)33(28(26)35)24-11-7-4-8-12-24/h3-18H,1-2H3
InChIKey BVNYQOAUWMTTJP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27564
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: D77159; Labnumber: KKA-0212B-0611; SBI_ID: SBI-027568
Temperature 315 °C