For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-[2-(1-cyclohexen-1-yl)ethyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID Aona9pyVm6s
InChI InChI=1S/C25H26ClN3O2S/c1-16-14-19(17(2)29(16)21-10-8-20(26)9-11-21)15-22-23(30)27-25(32)28(24(22)31)13-12-18-6-4-3-5-7-18/h6,8-11,14-15H,3-5,7,12-13H2,1-2H3,(H,27,30,32)/b22-15-
InChIKey IRWNTGIOZDRMRX-JCMHNJIXSA-N
Mol Weight 468.02 g/mol
Molecular Formula C25H26ClN3O2S
Exact Mass 467.143426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3DHIUKSO1pq
Name (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-[2-(1-cyclohexen-1-yl)ethyl]-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/C25H26ClN3O2S/c1-16-14-19(17(2)29(16)21-10-8-20(26)9-11-21)15-22-23(30)27-25(32)28(24(22)31)13-12-18-6-4-3-5-7-18/h6,8-11,14-15H,3-5,7,12-13H2,1-2H3,(H,27,30,32)/b22-15-
InChIKey IRWNTGIOZDRMRX-JCMHNJIXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4764
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: E10385; Labnumber: KKA-0212B-0413; SBI_ID: SBI-004766
Synonyms 5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-[2-(1-cyclohexen-1-yl)ethyl]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C