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(3aR,4R,6R,6aS)-6-[(2-amino-6-chloro-4-pyrimidinyl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

View entire compound with spectra: 1 MS (GC)

(3aR,4R,6R,6aS)-6-[(2-amino-6-chloro-4-pyrimidinyl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
SpectraBase Compound ID 5JMFPX1D73Q
InChI InChI=1S/C12H17ClN4O3/c1-12(2)19-9-5(3-6(18)10(9)20-12)15-8-4-7(13)16-11(14)17-8/h4-6,9-10,18H,3H2,1-2H3,(H3,14,15,16,17)/t5-,6-,9+,10-/m1/s1
InChIKey RBDLWMUNCSTJKS-FNIZFGCXSA-N
Mol Weight 300.75 g/mol
Molecular Formula C12H17ClN4O3
Exact Mass 300.098918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMmcW1RfpY2
Name (3aR,4R,6R,6aS)-6-[(2-amino-6-chloro-4-pyrimidinyl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
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Formula C12H17ClN4O3
InChI InChI=1S/C12H17ClN4O3/c1-12(2)19-9-5(3-6(18)10(9)20-12)15-8-4-7(13)16-11(14)17-8/h4-6,9-10,18H,3H2,1-2H3,(H3,14,15,16,17)/t5-,6-,9+,10-/m1/s1
InChIKey RBDLWMUNCSTJKS-FNIZFGCXSA-N
Molecular Weight 300.746 g/mol
SMILES O[C@]1([C@@]2([C@]([C@@](C1)(Nc1nc(nc(c1)Cl)N)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-014i-1960000000-d32591625e0b9691d488
Source of Spectrum F-49-6692-57
Synonyms (3aR,4R,6R,6aS)-6-[(2-amino-6-chloro-pyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol (3aR,4R,6R,6aS)-6-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Wiley ID 1302409