1-besyl-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

SpectraBase Compound ID	EC1Y97vyE05
InChI	InChI=1S/C18H18F3N3O4S/c1-13-12-22(9-10-23(13)29(27,28)15-5-3-2-4-6-15)16-8-7-14(18(19,20)21)11-17(16)24(25)26/h2-8,11,13H,9-10,12H2,1H3
InChIKey	KDSLHSIESFHIOO-UHFFFAOYSA-N Google Search
Mol Weight	429.41 g/mol
Molecular Formula	C18H18F3N3O4S
Exact Mass	429.097012 g/mol

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SpectraBase Spectrum ID	WvvKz048gW
Name	2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylsulfonyl)piperazine
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/C18H18F3N3O4S/c1-13-12-22(9-10-23(13)29(27,28)15-5-3-2-4-6-15)16-8-7-14(18(19,20)21)11-17(16)24(25)26/h2-8,11,13H,9-10,12H2,1H3
InChIKey	KDSLHSIESFHIOO-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5917
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: NMR/11241379; Labnumber: LP-2501830; IOH_ID: IOH-005918