1,2-benzisothiazole, 3-[4-[(4-bromophenyl)carbonothioyl]-1-piperazinyl]-

SpectraBase Compound ID	Ddtc0XID4ZI
InChI	InChI=1S/C18H16BrN3S2/c19-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15-3-1-2-4-16(15)24-20-17/h1-8H,9-12H2
InChIKey	ANFYVOUAHRDYRN-UHFFFAOYSA-N Google Search
Mol Weight	418.37 g/mol
Molecular Formula	C18H16BrN3S2
Exact Mass	416.996903 g/mol

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SpectraBase Spectrum ID	KJg5tFkggga
Name	1,2-benzisothiazole, 3-[4-[(4-bromophenyl)carbonothioyl]-1-piperazinyl]-
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/C18H16BrN3S2/c19-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15-3-1-2-4-16(15)24-20-17/h1-8H,9-12H2
InChIKey	ANFYVOUAHRDYRN-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8118
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: F31552; Labnumber: SPYEL-6843