John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6K72fMqXtHE SpectraBase Spectrum ID=1j9WOHmpDv3

(accessed ).
7-BETA-D-RIBOFURANOSYLTHIENO-[3,4-D]-PYRIMIDINE-4(3H)-THIONE
SpectraBase Compound ID 6K72fMqXtHE
InChI InChI=1S/C11H12N2O4S2/c14-1-5-7(15)8(16)9(17-5)10-6-4(2-19-10)11(18)13-3-12-6/h2-3,5,7-9,14-16H,1H2,(H,12,13,18)/t5-,7-,8-,9-/m0/s1
InChIKey WNIQCHQWBKTBCU-ZITKLIBNSA-N
Mol Weight 300.35 g/mol
Molecular Formula C11H12N2O4S2
Exact Mass 300.023851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j9WOHmpDv3
Name 7-BETA-D-RIBOFURANOSYLTHIENO-[3,4-D]-PYRIMIDINE-4(3H)-THIONE
Compound Number 5
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Formula C11H12N2O4S2
InChI InChI=1S/C11H12N2O4S2/c14-1-5-7(15)8(16)9(17-5)10-6-4(2-19-10)11(18)13-3-12-6/h2-3,5,7-9,14-16H,1H2,(H,12,13,18)/t5-,7-,8-,9-/m0/s1
InChIKey WNIQCHQWBKTBCU-ZITKLIBNSA-N
Literature Reference Author S.A.PATIL,B.A.OTTER,R.S.KLEIN
Literature Reference Citation J.HETCYCL.CHEM.,30,509(1993)
Literature Reference DOI 10.1002/jhet.5570300240
Molecular Weight 300.347 g/mol
Solvent DMSO-D6:D2O
Source File Reference UWGE273
SpectraBase Batch ID 9ioMYqJRkEM