benzenemethanamine, N-[5-[4-[(4-bromophenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-

SpectraBase Compound ID	62fWVElHhKr
InChI	InChI=1S/C24H25BrN4O4S/c1-18(19-5-3-2-4-6-19)26-23-17-21(9-12-24(23)29(30)31)27-13-15-28(16-14-27)34(32,33)22-10-7-20(25)8-11-22/h2-12,17-18,26H,13-16H2,1H3
InChIKey	KNBAWKPIEGKLSS-UHFFFAOYSA-N Google Search
Mol Weight	545.45 g/mol
Molecular Formula	C24H25BrN4O4S
Exact Mass	544.077989 g/mol

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SpectraBase Spectrum ID	CkUoI5inbsk
Name	benzenemethanamine, N-[5-[4-[(4-bromophenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	544.077989471 u
Formula	C24H25BrN4O4S
InChI	InChI=1S/C24H25BrN4O4S/c1-18(19-5-3-2-4-6-19)26-23-17-21(9-12-24(23)29(30)31)27-13-15-28(16-14-27)34(32,33)22-10-7-20(25)8-11-22/h2-12,17-18,26H,13-16H2,1H3
InChIKey	KNBAWKPIEGKLSS-UHFFFAOYSA-N
Molecular Weight	545.452 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2021_85
Solvent	DMSO-d6
Source	Vendor ID: NMR/12320368; Lab Info: KMA; Lab Number: S16699