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9H-Purin-6-amine, 9-(2-chloro-2-deoxy-.beta.-D-arabinofuranosyl)-
SpectraBase Compound ID DqRPB9lg4B7
InChI InChI=1S/C10H12ClN5O3/c11-4-6(18)3(1-17)19-7(4)10-15-8(12)5-9(16-10)14-2-13-5/h2-4,6-7,17-18H,1H2,(H3,12,13,14,15,16)/t3-,4+,6-,7?/m1/s1
InChIKey HEWCKHZNIJSVHW-HYSUSIIRSA-N
Mol Weight 285.69 g/mol
Molecular Formula C10H12ClN5O3
Exact Mass 285.062867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23cU0GD6vXx
Name 9H-Purin-6-amine, 9-(2-chloro-2-deoxy-.beta.-D-arabinofuranosyl)-
Alternate Name(s) Adenine, 9-(2-chloro-2-deoxy-.beta.-D-arabinofuranosyl)- 1-(6-amino-7H-purin-2-yl)-1,4-anhydro-2-chloro-2-deoxy-D-arabinitol 9-.beta.-D-(2-chloro-2-deoxyarabinofuranosyl)adenine
CAS Registry Number 4555-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClN5O3
InChI InChI=1S/C10H12ClN5O3/c11-4-6(18)3(1-17)19-7(4)10-15-8(12)5-9(16-10)14-2-13-5/h2-4,6-7,17-18H,1H2,(H3,12,13,14,15,16)/t3-,4+,6-,7?/m1/s1
InChIKey HEWCKHZNIJSVHW-HYSUSIIRSA-N
Molecular Weight 285.691 g/mol
SMILES [nH]1cnc2nc(C3[C@]([C@@]([C@](O3)(CO)[H])(O)[H])(Cl)[H])nc(c12)N
SPLASH splash10-000i-0910000000-20cae9dc6c6437e9ca13
Source of Spectrum KO-9-227-1
Wiley ID 1288683