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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 I4xxA0nwQJM
Name 3,7-DIHYDRO-2-MERCAPTO-5-METHYL-4H-PYRROLO[2,3-d]PYRIMIDIN-4-ONE
Source of Sample U. Luepke, F. Seela Chem. Ber. 112, 799(1979)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 181.22
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Not Reported
Synonyms 4H-PYRROLO/2,3-D/PYRIMIDIN-4-ONE, 3,7-DIHYDRO-2-MERCAPTO-5-METHYL-,