1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]hexahydro-1H-1,4-diazepine

SpectraBase Compound ID	JXMyak3PNfe
InChI	InChI=1S/C21H28N2O8S2/c1-28-18-8-6-16(14-20(18)30-3)32(24,25)22-10-5-11-23(13-12-22)33(26,27)17-7-9-19(29-2)21(15-17)31-4/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey	GJUFPAZNBPFNRI-UHFFFAOYSA-N Google Search
Mol Weight	500.58 g/mol
Molecular Formula	C21H28N2O8S2
Exact Mass	500.128708 g/mol

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SpectraBase Spectrum ID	C5Mj74MsUBZ
Name	1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]hexahydro-1H-1,4-diazepine
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/C21H28N2O8S2/c1-28-18-8-6-16(14-20(18)30-3)32(24,25)22-10-5-11-23(13-12-22)33(26,27)17-7-9-19(29-2)21(15-17)31-4/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey	GJUFPAZNBPFNRI-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_14988
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: UZI/1022244; UBI_ID: UBI-014991
Temperature	318 °C