6H-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide, 6-methyl-N-(2-nitrophenyl)-, 5,5-dioxide

SpectraBase Compound ID	KiCT6k4rifn
InChI	InChI=1S/C20H15N3O6S/c1-22-16-8-4-5-9-17(16)29-18-11-10-13(12-19(18)30(22,27)28)20(24)21-14-6-2-3-7-15(14)23(25)26/h2-12H,1H3,(H,21,24)
InChIKey	UQHFNHXEGQCVNA-UHFFFAOYSA-N Google Search
Mol Weight	425.42 g/mol
Molecular Formula	C20H15N3O6S
Exact Mass	425.068156 g/mol

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SpectraBase Spectrum ID	C3WkcoxIpVq
Name	6H-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide, 6-methyl-N-(2-nitrophenyl)-, 5,5-dioxide
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/C20H15N3O6S/c1-22-16-8-4-5-9-17(16)29-18-11-10-13(12-19(18)30(22,27)28)20(24)21-14-6-2-3-7-15(14)23(25)26/h2-12H,1H3,(H,21,24)
InChIKey	UQHFNHXEGQCVNA-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_5028
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: NMR/17317141; Labnumber: SP-X001278