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(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2-chloroethyl)oxolane-3,4-diol
SpectraBase Compound ID B3vagTwtkBD
InChI InChI=1S/C11H14ClN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,1-2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChIKey RXPYANRHFSFRKV-IOSLPCCCSA-N
Mol Weight 299.72 g/mol
Molecular Formula C11H14ClN5O3
Exact Mass 299.078517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hv7bp6CTg
Name (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2-chloroethyl)oxolane-3,4-diol
Alternate Name(s) (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2-chloroethyl)tetrahydrofuran-3,4-diol (2R,3R,4S,5R)-2-adenin-9-yl-5-(2-chloroethyl)tetrahydrofuran-3,4-diol
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Formula C11H14ClN5O3
InChI InChI=1S/C11H14ClN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,1-2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChIKey RXPYANRHFSFRKV-IOSLPCCCSA-N
Molecular Weight 299.718 g/mol
SMILES O[C@]1([C@]([C@]([n]2cnc3c(ncnc23)N)(O[C@@]1(CCCl)[H])[H])(O)[H])[H]
SPLASH splash10-01p9-0900000000-7778894b0f4d659a7abf
Source of Spectrum QE-11-90-5
Wiley ID 1586532