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2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(3-chloro-3-deoxy-.beta.-D-xylofuranosyl)-
SpectraBase Compound ID 7cyWZayKjkQ
InChI InChI=1S/C9H10BrClN2O5/c10-3-1-13(9(17)12-7(3)16)8-6(15)5(11)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
InChIKey YQLJPSDVHAYKON-BYPJNBLXSA-N
Mol Weight 341.55 g/mol
Molecular Formula C9H10BrClN2O5
Exact Mass 339.946162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDSTIhYAY1K
Name 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(3-chloro-3-deoxy-.beta.-D-xylofuranosyl)-
CAS Registry Number 59588-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10BrClN2O5
InChI InChI=1S/C9H10BrClN2O5/c10-3-1-13(9(17)12-7(3)16)8-6(15)5(11)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
InChIKey YQLJPSDVHAYKON-BYPJNBLXSA-N
Molecular Weight 341.545 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@]1(Cl)[H])(O)[H])(N1C(NC(C(=C1)Br)=O)=O)[H])[H]
SPLASH splash10-0006-0913000000-93ea2715011fe6c54028
Source of Spectrum KO-9-227-1
Synonyms 1-.beta.-D-(3-chloro-3-deoxyxylofuranosyl)-5-bromouracil 5-Bromo-1-[(2R,3S,4R,5R)-4-chloro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Wiley ID 1334764