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3-[(2,8-dihydroxy-9H-purin-6-yl)sulfanyl]propanoic acid

View entire compound with spectra: 1 NMR

3-[(2,8-dihydroxy-9H-purin-6-yl)sulfanyl]propanoic acid
SpectraBase Compound ID 3b67UcFrPBq
InChI InChI=1S/C8H8N4O4S/c13-3(14)1-2-17-6-4-5(10-7(15)9-4)11-8(16)12-6/h1-2H2,(H,13,14)(H3,9,10,11,12,15,16)
InChIKey YHVRCZUMYJDXNB-UHFFFAOYSA-N
Mol Weight 256.24 g/mol
Molecular Formula C8H8N4O4S
Exact Mass 256.026626 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5kVosamt7yt
Name 3-[(2,8-dihydroxy-9H-purin-6-yl)sulfanyl]propanoic acid
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/C8H8N4O4S/c13-3(14)1-2-17-6-4-5(10-7(15)9-4)11-8(16)12-6/h1-2H2,(H,13,14)(H3,9,10,11,12,15,16)
InChIKey YHVRCZUMYJDXNB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16686
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: 987/00004230; Labnumber: 987/00004230218851; VK_ID: VK-016691
Temperature 308 °C