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6-Ethylthiopurine riboside
SpectraBase Compound ID 7erddFhxLwN
InChI InChI=1S/C12H16N4O4S/c1-2-21-11-7-10(13-4-14-11)16(5-15-7)12-9(19)8(18)6(3-17)20-12/h4-6,8-9,12,17-19H,2-3H2,1H3
InChIKey SXDRPWJMWHDCLL-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C12H16N4O4S
Exact Mass 312.089226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9keo9gRH2A9
Name 6-Ethylthiopurine riboside
Comments Computed using HOSE algorithm
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Exact Mass 312.089226181 u
Formula C12H16N4O4S
InChI InChI=1S/C12H16N4O4S/c1-2-21-11-7-10(13-4-14-11)16(5-15-7)12-9(19)8(18)6(3-17)20-12/h4-6,8-9,12,17-19H,2-3H2,1H3
InChIKey SXDRPWJMWHDCLL-UHFFFAOYSA-N
Molecular Weight 312.344 g/mol
SMILES C1(=NC=NC=2N(C=NC12)C1C(C(C(O1)CO)O)O)SCC