N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide

SpectraBase Compound ID	6BKhbauG5nH
InChI	InChI=1S/C19H15ClF6N4O2S/c20-13-3-1-11(18(21,22)23)9-14(13)27-17(33)29-7-5-28(6-8-29)15-4-2-12(19(24,25)26)10-16(15)30(31)32/h1-4,9-10H,5-8H2,(H,27,33)
InChIKey	XSMHEQLRUOPJJF-UHFFFAOYSA-N Google Search
Mol Weight	512.86 g/mol
Molecular Formula	C19H15ClF6N4O2S
Exact Mass	512.050844 g/mol

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SpectraBase Spectrum ID	83RQzl2w8eA
Name	N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
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/C19H15ClF6N4O2S/c20-13-3-1-11(18(21,22)23)9-14(13)27-17(33)29-7-5-28(6-8-29)15-4-2-12(19(24,25)26)10-16(15)30(31)32/h1-4,9-10H,5-8H2,(H,27,33)
InChIKey	XSMHEQLRUOPJJF-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_4885
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/10301723; Labnumber: SIP-123; IOH_ID: IOH-004886