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6-MERCAPTO-9H-PURIN-9-YL-PROPIONIC-ACID

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6-MERCAPTO-9H-PURIN-9-YL-PROPIONIC-ACID
SpectraBase Compound ID 7d1QIoM5oor
InChI InChI=1S/C8H8N4O2S/c13-5(14)1-2-12-4-11-6-7(12)9-3-10-8(6)15/h3-4H,1-2H2,(H,13,14)(H,9,10,15)
InChIKey ZDOQZHPZIGZOFO-UHFFFAOYSA-N
Mol Weight 224.24 g/mol
Molecular Formula C8H8N4O2S
Exact Mass 224.036797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJ93pphfuFT
Name 6-MERCAPTO-9H-PURIN-9-YL-PROPIONIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8N4O2S
InChI InChI=1S/C8H8N4O2S/c13-5(14)1-2-12-4-11-6-7(12)9-3-10-8(6)15/h3-4H,1-2H2,(H,13,14)(H,9,10,15)
InChIKey ZDOQZHPZIGZOFO-UHFFFAOYSA-N
Literature Reference Author H.ROSEMEYER,F.SEELA
Literature Reference Citation HETEROCYCLES,23,2669(1985)
Literature Reference DOI 10.3987/R-1985-10-2669
Molecular Weight 224.237 g/mol
Solvent DMSO-D6
Source File Reference UWED5282