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4-(9H-purin-6-ylsulfanyl)-1-butanesulfonic acid

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4-(9H-purin-6-ylsulfanyl)-1-butanesulfonic acid
SpectraBase Compound ID FlflcTpjqT8
InChI InChI=1S/C9H12N4O3S2/c14-18(15,16)4-2-1-3-17-9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,14,15,16)(H,10,11,12,13)
InChIKey VIWYDVFRONDOOB-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C9H12N4O3S2
Exact Mass 288.035083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GHVrF7CY3Wm
Name 4-(9H-purin-6-ylsulfanyl)-1-butanesulfonic 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/C9H12N4O3S2/c14-18(15,16)4-2-1-3-17-9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,14,15,16)(H,10,11,12,13)
InChIKey VIWYDVFRONDOOB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16685
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: 987/00004229; Labnumber: 987/00004229218851; VK_ID: VK-016690
Temperature 308 °C