N-(3-chloranyl-4-fluoranyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

SpectraBase Compound ID	BksLlXHjyel
InChI	InChI=1S/C18H16ClF4N3S/c19-15-11-13(4-5-16(15)20)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27)
InChIKey	LNJAALUXDFNSEJ-UHFFFAOYSA-N Google Search
Mol Weight	417.85 g/mol
Molecular Formula	C18H16ClF4N3S
Exact Mass	417.068959 g/mol

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SpectraBase Spectrum ID	JHjP85cj1Bp
Name	1-piperazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	417.068959053 u
Formula	C18H16ClF4N3S
InChI	InChI=1S/C18H16ClF4N3S/c19-15-11-13(4-5-16(15)20)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27)
InChIKey	LNJAALUXDFNSEJ-UHFFFAOYSA-N
Molecular Weight	417.854 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_11734
Solvent	DMSO-d6
Source	Vendor ID: NMR/10271460; Lab Info: PRO; Lab Number: PRO-0001670