acetic acid, [(2-chloro-9H-purin-6-yl)thio]-

SpectraBase Compound ID	AoPNKOIRqCZ
InChI	InChI=1S/C7H5ClN4O2S/c8-7-11-5-4(9-2-10-5)6(12-7)15-1-3(13)14/h2H,1H2,(H,13,14)(H,9,10,11,12)
InChIKey	XZCUUXJOTYMZCO-UHFFFAOYSA-N Google Search
Mol Weight	244.66 g/mol
Molecular Formula	C7H5ClN4O2S
Exact Mass	243.982174 g/mol

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SpectraBase Spectrum ID	6iOh0yBcGRe
Name	acetic acid, [(2-chloro-9H-purin-6-yl)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/C7H5ClN4O2S/c8-7-11-5-4(9-2-10-5)6(12-7)15-1-3(13)14/h2H,1H2,(H,13,14)(H,9,10,11,12)
InChIKey	XZCUUXJOTYMZCO-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_4006
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: F19751; Labnumber: EXP16Exi004811