6-bromo-2-(3,4-dimethylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline

SpectraBase Compound ID	FdTjm0knr9u
InChI	InChI=1S/C29H25BrF3N3O/c1-18-6-7-20(14-19(18)2)27-17-25(24-16-22(30)8-9-26(24)34-27)28(37)36-12-10-35(11-13-36)23-5-3-4-21(15-23)29(31,32)33/h3-9,14-17H,10-13H2,1-2H3
InChIKey	BXOBGNXFJQBJMR-UHFFFAOYSA-N Google Search
Mol Weight	568.44 g/mol
Molecular Formula	C29H25BrF3N3O
Exact Mass	567.11331 g/mol

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SpectraBase Spectrum ID	AZaBbico8W8
Name	6-bromo-2-(3,4-dimethylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
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/C29H25BrF3N3O/c1-18-6-7-20(14-19(18)2)27-17-25(24-16-22(30)8-9-26(24)34-27)28(37)36-12-10-35(11-13-36)23-5-3-4-21(15-23)29(31,32)33/h3-9,14-17H,10-13H2,1-2H3
InChIKey	BXOBGNXFJQBJMR-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2315
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/9444824; Labnumber: AM-AC/0191200; UZI_ID: UZI-002317
Temperature	318 °C