benzenemethanamine, N-[2-nitro-5-[4-[(phenylmethyl)sulfonyl]-1-piperazinyl]phenyl]-

SpectraBase Compound ID	JxSp2aZpeLU
InChI	InChI=1S/C24H26N4O4S/c29-28(30)24-12-11-22(17-23(24)25-18-20-7-3-1-4-8-20)26-13-15-27(16-14-26)33(31,32)19-21-9-5-2-6-10-21/h1-12,17,25H,13-16,18-19H2
InChIKey	QWIPMSANQZJSKJ-UHFFFAOYSA-N Google Search
Mol Weight	466.56 g/mol
Molecular Formula	C24H26N4O4S
Exact Mass	466.167477 g/mol

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SpectraBase Spectrum ID	Dfj5dTp9zV2
Name	benzenemethanamine, N-[2-nitro-5-[4-[(phenylmethyl)sulfonyl]-1-piperazinyl]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	466.167476503 u
Formula	C24H26N4O4S
InChI	InChI=1S/C24H26N4O4S/c29-28(30)24-12-11-22(17-23(24)25-18-20-7-3-1-4-8-20)26-13-15-27(16-14-26)33(31,32)19-21-9-5-2-6-10-21/h1-12,17,25H,13-16,18-19H2
InChIKey	QWIPMSANQZJSKJ-UHFFFAOYSA-N
Molecular Weight	466.556 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_11025
Solvent	DMSO-d6
Source	Vendor ID: NMR/10251250; Lab Info: LP; Lab Number: LP-2501315
Temperature	23.85 °C