1-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazole

SpectraBase Compound ID	HtrC6g6EpXo
InChI	InChI=1S/C25H22N2O2S/c1-18-7-9-20(10-8-18)17-30-25-26-22-5-3-4-6-23(22)27(25)24(28)16-13-19-11-14-21(29-2)15-12-19/h3-16H,17H2,1-2H3/b16-13+
InChIKey	HTMIKOVXGKHVCT-DTQAZKPQSA-N Google Search
Mol Weight	414.52 g/mol
Molecular Formula	C25H22N2O2S
Exact Mass	414.140199 g/mol

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SpectraBase Spectrum ID	CIfIQsMmChO
Name	1-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazole
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/C25H22N2O2S/c1-18-7-9-20(10-8-18)17-30-25-26-22-5-3-4-6-23(22)27(25)24(28)16-13-19-11-14-21(29-2)15-12-19/h3-16H,17H2,1-2H3/b16-13+
InChIKey	HTMIKOVXGKHVCT-DTQAZKPQSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6401
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: 123295; Labnumber: EX00117171; VK_ID: VK-006404
Synonyms	methyl 4-((1E)-3-{2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazol-1-yl}-3-oxo-1-propenyl)phenyl ether1-[3-(4-methoxyphenyl)-2-propenoyl]-2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazole
Temperature	315 °C