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

SpectraBase Compound ID	4xguDCJem4D
InChI	InChI=1S/C26H29N3O2S/c1-17-9-11-22(12-10-17)29-18(2)15-21(19(29)3)16-23-24(30)27-26(32)28(25(23)31)14-13-20-7-5-4-6-8-20/h7,9-12,15-16H,4-6,8,13-14H2,1-3H3,(H,27,30,32)/b23-16-
InChIKey	AVIBXWZPBFDVDN-KQWNVCNZSA-N Google Search
Mol Weight	447.6 g/mol
Molecular Formula	C26H29N3O2S
Exact Mass	447.198048 g/mol

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SpectraBase Spectrum ID	Jxf2gz48KoE
Name	(5Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-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/C26H29N3O2S/c1-17-9-11-22(12-10-17)29-18(2)15-21(19(29)3)16-23-24(30)27-26(32)28(25(23)31)14-13-20-7-5-4-6-8-20/h7,9-12,15-16H,4-6,8,13-14H2,1-3H3,(H,27,30,32)/b23-16-
InChIKey	AVIBXWZPBFDVDN-KQWNVCNZSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10759
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: E03060; Labnumber: KKA-0212B-0412; SBI_ID: SBI-010762
Synonyms	1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C