methyl 5-[(2,8-dihydroxy-9H-purin-6-yl)sulfanyl]pentanoate

SpectraBase Compound ID	IrFKexlUoDX
InChI	InChI=1S/C11H14N4O4S/c1-19-6(16)4-2-3-5-20-9-7-8(13-10(17)12-7)14-11(18)15-9/h2-5H2,1H3,(H3,12,13,14,15,17,18)
InChIKey	CSBILALCAJUMEB-UHFFFAOYSA-N Google Search
Mol Weight	298.32 g/mol
Molecular Formula	C11H14N4O4S
Exact Mass	298.073576 g/mol

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SpectraBase Spectrum ID	EOKhuWtk7C0
Name	methyl 5-[(2,8-dihydroxy-9H-purin-6-yl)sulfanyl]pentanoate
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/C11H14N4O4S/c1-19-6(16)4-2-3-5-20-9-7-8(13-10(17)12-7)14-11(18)15-9/h2-5H2,1H3,(H3,12,13,14,15,17,18)
InChIKey	CSBILALCAJUMEB-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16669
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: 987/00004208; Labnumber: 987/00004208218851; VK_ID: VK-016674
Temperature	318 °C