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YLZXOIATWSHVDK-UHFFFAOYSA-N

View entire compound with spectra: 3 NMR

YLZXOIATWSHVDK-UHFFFAOYSA-N
SpectraBase Compound ID 1vPt58jYumL
InChI InChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)
InChIKey YLZXOIATWSHVDK-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 GW1zuUdhRw8
Name 4,7-DIHYDRO-2-(METHYLTHIO)-3H-PYRROLO[2,3-d]PYRIMIDIN-4-ONE
Source of Sample F. Seela, R. Richter Chem. Ber. 111, 2925(1978)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7N3OS
InChI InChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)
InChIKey YLZXOIATWSHVDK-UHFFFAOYSA-N
Molecular Weight 181.22
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-270
Synonyms 3H-PYRROLO/2,3-D/PYRIMIDIN-4-ONE, 4,7-DIHYDRO-2-/METHYLTHIO/-,