N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]-2-(4-isobutylphenyl)-4-quinolinecarboxamide

SpectraBase Compound ID	FkzOugGXQGW
InChI	InChI=1S/C31H23Cl2N3OS/c1-18(2)13-19-7-9-20(10-8-19)29-15-24(23-5-3-4-6-28(23)35-29)30(37)36-31-25(16-34)26(17-38-31)22-12-11-21(32)14-27(22)33/h3-12,14-15,17-18H,13H2,1-2H3,(H,36,37)
InChIKey	WOQJYMZECNNZDV-UHFFFAOYSA-N Google Search
Mol Weight	556.51 g/mol
Molecular Formula	C31H23Cl2N3OS
Exact Mass	555.093889 g/mol

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SpectraBase Spectrum ID	K7oFWcMOqBP
Name	N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]-2-(4-isobutylphenyl)-4-quinolinecarboxamide
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/C31H23Cl2N3OS/c1-18(2)13-19-7-9-20(10-8-19)29-15-24(23-5-3-4-6-28(23)35-29)30(37)36-31-25(16-34)26(17-38-31)22-12-11-21(32)14-27(22)33/h3-12,14-15,17-18H,13H2,1-2H3,(H,36,37)
InChIKey	WOQJYMZECNNZDV-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_1802
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: UZI/9449429; Labnumber: AM-AC/0006373; UZI_ID: UZI-001804
Temperature	308 °C