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2-Bromo-6-chloro-9.beta.-(2',3',5'-tri-O-acetyl)-D-ribofuranosylpurine
SpectraBase Compound ID Cc6aPBfV0W6
InChI InChI=1S/C16H16BrClN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15?/m1/s1
InChIKey FALQPDDXFMGVNW-FJFSNTMWSA-N
Mol Weight 491.68 g/mol
Molecular Formula C16H16BrClN4O7
Exact Mass 489.98909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJ40OEN9Jf4
Name 2-Bromo-6-chloro-9.beta.-(2',3',5'-tri-O-acetyl)-D-ribofuranosylpurine
Alternate Name(s) [(2R,3R,4R)-3,4-bis(acetyloxy)-5-(2-bromo-6-chloro-9H-purin-9-yl)oxolan-2-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrClN4O7
InChI InChI=1S/C16H16BrClN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15?/m1/s1
InChIKey FALQPDDXFMGVNW-FJFSNTMWSA-N
Molecular Weight 491.682 g/mol
SMILES c12[n](cnc2c(Cl)nc(n1)Br)C1[C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H]
SPLASH splash10-000j-6970000000-54006afb93aa1ec615d1
Source of Spectrum SO-0-671-5
Wiley ID 1537823