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Methyl cis-3-[ 2',6'-dichloro-9'H-purin-9'-yl]cyclopentaneacetate
SpectraBase Compound ID JIiQxGJ9ez8
InChI InChI=1S/C13H14Cl2N4O2/c1-21-9(20)5-7-2-3-8(4-7)19-6-16-12-10(19)11(14)17-13(15)18-12/h6-8H,2-5H2,1H3/t7-,8+/m1/s1
InChIKey ZLJSTHIWMHVUBG-SFYZADRCSA-N
Mol Weight 329.19 g/mol
Molecular Formula C13H14Cl2N4O2
Exact Mass 328.049381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ahmzJCuSgu
Name Methyl cis-3-[ 2',6'-dichloro-9'H-purin-9'-yl]cyclopentaneacetate
Alternate Name(s) Methyl[(1R,3S)-3-(2,6-dichloro-7H-purin-7-yl)cyclopentyl]acetate
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Formula C13H14Cl2N4O2
InChI InChI=1S/C13H14Cl2N4O2/c1-21-9(20)5-7-2-3-8(4-7)19-6-16-12-10(19)11(14)17-13(15)18-12/h6-8H,2-5H2,1H3/t7-,8+/m1/s1
InChIKey ZLJSTHIWMHVUBG-SFYZADRCSA-N
Molecular Weight 329.187 g/mol
SMILES c12c([n]([C@@]3(C[C@](CC(=O)OC)(CC3)[H])[H])cn1)c(Cl)nc(n2)Cl
SPLASH splash10-0a4u-9410000000-f0f10c8b59a3e77a2a0f
Source of Spectrum H-75-1951-10
Wiley ID 1325905