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

View entire compound with spectra: 1 NMR

(5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2,3-dichlorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID EhWiSSAUmlf
InChI InChI=1S/C27H25Cl2N3O2S/c1-15-13-17(16(2)31(15)19-11-9-18(10-12-19)27(3,4)5)14-20-24(33)30-26(35)32(25(20)34)22-8-6-7-21(28)23(22)29/h6-14H,1-5H3,(H,30,33,35)/b20-14-
InChIKey PUMBLMICIWMNGQ-ZHZULCJRSA-N
Mol Weight 526.48 g/mol
Molecular Formula C27H25Cl2N3O2S
Exact Mass 525.104454 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JNqmGkKNFpJ
Name (5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2,3-dichlorophenyl)-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/C27H25Cl2N3O2S/c1-15-13-17(16(2)31(15)19-11-9-18(10-12-19)27(3,4)5)14-20-24(33)30-26(35)32(25(20)34)22-8-6-7-21(28)23(22)29/h6-14H,1-5H3,(H,30,33,35)/b20-14-
InChIKey PUMBLMICIWMNGQ-ZHZULCJRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9695
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: 133727; Labnumber: AREF2K-3304; VK_ID: VK-009699
Synonyms 5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2,3-dichlorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C