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3,7-DIHYDRO-2-MERCAPTO-5-METHYL-4H-PYRROLO[2,3-d]PYRIMIDIN-4-ONE

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3,7-DIHYDRO-2-MERCAPTO-5-METHYL-4H-PYRROLO[2,3-d]PYRIMIDIN-4-ONE
SpectraBase Compound ID A7i51r9XFiJ
InChI InChI=1S/C7H7N3OS/c1-3-2-8-5-4(3)6(11)10-7(12)9-5/h2H,1H3,(H3,8,9,10,11,12)
InChIKey QLXMUNOLNDXCFG-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C7H7N3OS
Exact Mass 181.030983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYED6PKuhkR
Name 2-Mercapto-5-methyl-7H-pyrrolo(2,3-D)pyrimidin-4(3H)-one
CAS Registry Number 1971-21-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H7N3OS
InChI InChI=1S/C7H7N3OS/c1-3-2-8-5-4(3)6(11)10-7(12)9-5/h2H,1H3,(H3,8,9,10,11,12)
InChIKey QLXMUNOLNDXCFG-UHFFFAOYSA-N
Literature Reference U. Luepke, F. Seela, Chem. Ber. 112, 799 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6