p-toluenesulfonic acid, [2-(hexahydro-1H-azepin-1-yl)-5-nitrobenzylidene]hydrazide

SpectraBase Compound ID	GT9ykHia940
InChI	InChI=1S/C20H24N4O4S/c1-16-6-9-19(10-7-16)29(27,28)22-21-15-17-14-18(24(25)26)8-11-20(17)23-12-4-2-3-5-13-23/h6-11,14-15,22H,2-5,12-13H2,1H3/b21-15+
InChIKey	GKHSZLZMBZGTOU-RCCKNPSSSA-N Google Search
Mol Weight	416.5 g/mol
Molecular Formula	C20H24N4O4S
Exact Mass	416.151826 g/mol

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SpectraBase Spectrum ID	Lgb2O1LCYCC
Name	p-TOLUENESULFONIC ACID, [2-(HEXAHYDRO-1H-AZEPIN-1-YL)-5-NITROBENZYLIDENE]HYDRAZIDE
Source of Sample	H. Suschitzky, University of Salford, Lanchashire, England
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H24N4O4S
InChI	InChI=1S/C20H24N4O4S/c1-16-6-9-19(10-7-16)29(27,28)22-21-15-17-14-18(24(25)26)8-11-20(17)23-12-4-2-3-5-13-23/h6-11,14-15,22H,2-5,12-13H2,1H3/b21-15+
InChIKey	GKHSZLZMBZGTOU-RCCKNPSSSA-N
Literature Reference	J. CHEM. SOC. (C), 3693(1971)
Molecular Weight	416.496002
Synonyms	P-TOLUENESULFONIC ACID, /2-/HEXA- HYDRO-1H-AZEPIN-1-YL/-5-NITROBENZYL- IDENE/HYDRAZIDE BENZALDEHYDE, 2-/HEXAHYDRO-1H- AZEPIN-1-YL/-5-NITRO-, /P-TOLYL- SULFONYL/HYDRAZONE
Technique	KBr WAFER