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(5'R,6'R)-1-(2'-Deoxy-3',5'-ethano-5',6'-methano-beta-D-ribofuranosyl)thymine
SpectraBase Compound ID JHKm011o5dI
InChI InChI=1S/C13H16N2O5/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H,14,16,17)/t7-,8-,10+,12+,13-/m1/s1
InChIKey ZRHXIGZVLYCXCO-ZIDZYHNGSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TDsdZLh2Xd
Name (5'R,6'R)-1-(2'-Deoxy-3',5'-ethano-5',6'-methano-beta-D-ribofuranosyl)thymine
Alternate Name(s) (5'R,7'R)-1- (2'-Deoxy-3',5',5'-propane-[1,2,3]-triyl-beta-D-ribofuranosyl thymine 1-((2R,3aS,4aS,5aR,5bS)-3a,5a-dihydroxyoctahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
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Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H,14,16,17)/t7-,8-,10+,12+,13-/m1/s1
InChIKey ZRHXIGZVLYCXCO-ZIDZYHNGSA-N
Literature Reference DOI 10.1002/hlca.19970800812
Molecular Weight 280.280 g/mol
SMILES O[C@]12[C@]3(O[C@](C[C@]3(C[C@@]2(C1)[H])O)(N1C(NC(C(=C1)C)=O)=O)[H])[H]
SPLASH splash10-004i-0900000000-f7b263f7a9b2d9d34752
Source of Spectrum H-80-2436-(+)_1
Wiley ID 1785308