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9-(5-Chloro-5-deoxy-2,3-O-Isopropylidene-D-ribityl)hypoxanthine
SpectraBase Compound ID 7UGKT4Tlhx9
InChI InChI=1S/C13H17ClN4O4/c1-13(2)21-8(10(22-13)7(19)3-14)4-18-6-17-9-11(18)15-5-16-12(9)20/h5-8,10,19H,3-4H2,1-2H3,(H,15,16,20)/t7-,8?,10-/m1/s1
InChIKey IQBSIBORTXSIJD-HUWCLSLFSA-N
Mol Weight 328.76 g/mol
Molecular Formula C13H17ClN4O4
Exact Mass 328.093833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VQ4spAIF8I
Name 9-(5-Chloro-5-deoxy-2,3-O-Isopropylidene-D-ribityl)hypoxanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClN4O4
InChI InChI=1S/C13H17ClN4O4/c1-13(2)21-8(10(22-13)7(19)3-14)4-18-6-17-9-11(18)15-5-16-12(9)20/h5-8,10,19H,3-4H2,1-2H3,(H,15,16,20)/t7-,8?,10-/m1/s1
InChIKey IQBSIBORTXSIJD-HUWCLSLFSA-N
Molecular Weight 328.756 g/mol
SMILES Oc1c2c([n](CC3[C@@]([C@](O)(CCl)[H])(OC(O3)(C)C)[H])cn2)ncn1
SPLASH splash10-0uki-0944000000-666fb60e176f5053a4c5
Source of Spectrum F-53-16690-2
Synonyms 5-Chloro-1,5-dideoxy-1-(6-hydroxy-9H-purin-9-yl)-2,3-O-(1-methylethylidene)-D-arabinitol
Wiley ID 804573