9H-purine, 6-[(2,4-dinitrophenyl)thio]-

SpectraBase Compound ID	HqRiOJE45Xf
InChI	InChI=1S/C11H6N6O4S/c18-16(19)6-1-2-8(7(3-6)17(20)21)22-11-9-10(13-4-12-9)14-5-15-11/h1-5H,(H,12,13,14,15)
InChIKey	LMBQPUKTECHWGL-UHFFFAOYSA-N Google Search
Mol Weight	318.27 g/mol
Molecular Formula	C11H6N6O4S
Exact Mass	318.017124 g/mol

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SpectraBase Spectrum ID	5jc3vcb2R1d
Name	9H-purine, 6-[(2,4-dinitrophenyl)thio]-
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/C11H6N6O4S/c18-16(19)6-1-2-8(7(3-6)17(20)21)22-11-9-10(13-4-12-9)14-5-15-11/h1-5H,(H,12,13,14,15)
InChIKey	LMBQPUKTECHWGL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_4666
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/11318809