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9-[5-O-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-O-acetyl-3-bromo]inosine
SpectraBase Compound ID 4xy8XMA8DCF
InChI InChI=1S/C18H21BrN4O8/c1-8(24)29-13-11(19)10(5-28-17(27)18(3,4)31-9(2)25)30-16(13)23-7-22-12-14(23)20-6-21-15(12)26/h6-7,10-11,13,16H,5H2,1-4H3,(H,20,21,26)
InChIKey DKYLRERPKZUKKR-UHFFFAOYSA-N
Mol Weight 501.29 g/mol
Molecular Formula C18H21BrN4O8
Exact Mass 500.054277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23WIRneNZw
Name 9-[5-O-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-O-acetyl-3-bromo]inosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21BrN4O8
InChI InChI=1S/C18H21BrN4O8/c1-8(24)29-13-11(19)10(5-28-17(27)18(3,4)31-9(2)25)30-16(13)23-7-22-12-14(23)20-6-21-15(12)26/h6-7,10-11,13,16H,5H2,1-4H3,(H,20,21,26)
InChIKey DKYLRERPKZUKKR-UHFFFAOYSA-N
Molecular Weight 501.290 g/mol
SMILES N1C(c2nc[n](c2N=C1)C1C(C(Br)C(O1)COC(C(OC(=O)C)(C)C)=O)OC(=O)C)=O
SPLASH splash10-002r-0970000000-2d567e4cbb95b4dda5ea
Source of Spectrum SO-0-479-2
Wiley ID 1543142