5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline

SpectraBase Compound ID	4QGRg9rE00c
InChI	InChI=1S/C17H21N5O4S/c1-27(25,26)21-9-7-20(8-10-21)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3
InChIKey	YVGHHYMCMFMAQZ-UHFFFAOYSA-N Google Search
Mol Weight	391.45 g/mol
Molecular Formula	C17H21N5O4S
Exact Mass	391.131425 g/mol

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SpectraBase Spectrum ID	5tg4l1XIn8k
Name	3-pyridinemethanamine, N-[5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	391.131425346 u
Formula	C17H21N5O4S
InChI	InChI=1S/C17H21N5O4S/c1-27(25,26)21-9-7-20(8-10-21)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3
InChIKey	YVGHHYMCMFMAQZ-UHFFFAOYSA-N
Molecular Weight	391.446 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15259
Solvent	DMSO-d6
Source	Vendor ID: NMR/10321369; Lab Info: LP; Lab Number: LP-2501618