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3'-O-METHYL-6-THIOINOSINE
SpectraBase Compound ID fMsSHev3Kx
InChI InChI=1S/C11H14N4O4S/c1-18-8-5(2-16)19-11(7(8)17)15-4-14-6-9(15)12-3-13-10(6)20/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,20)/t5-,7-,8-,11-/m1/s1
InChIKey AOZLMQFOLODHRC-IOSLPCCCSA-N
Mol Weight 298.32 g/mol
Molecular Formula C11H14N4O4S
Exact Mass 298.073576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9d2BsyqWn7C
Name 9-(3'-O-Methyl-.beta.-D-ribofuranosyl)purine-6-thione
Alternate Name(s) 9-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-6,9-dihydro-1H-purine-6-thione
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Formula C11H14N4O4S
InChI InChI=1S/C11H14N4O4S/c1-18-8-5(2-16)19-11(7(8)17)15-4-14-6-9(15)12-3-13-10(6)20/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,20)/t5-,7-,8-,11-/m1/s1
InChIKey AOZLMQFOLODHRC-IOSLPCCCSA-N
Molecular Weight 298.317 g/mol
SMILES N1C(c2c([n]([C@]3([C@@]([C@@]([C@](O3)(CO)[H])(OC)[H])(O)[H])[H])cn2)N=C1)=S
SPLASH splash10-0udi-1900000000-4785eca5231e33093dcb
Source of Spectrum J-39-1891-3
Wiley ID 848780