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9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo]adenosine
SpectraBase Compound ID ev4OgQOy3f
InChI InChI=1S/C16H20BrN5O6/c1-7(23)28-16(2,3)15(25)26-4-8-9(17)11(24)14(27-8)22-6-21-10-12(18)19-5-20-13(10)22/h5-6,8-9,11,14,24H,4H2,1-3H3,(H2,18,19,20)
InChIKey UMYCNABQNVPBTQ-UHFFFAOYSA-N
Mol Weight 458.27 g/mol
Molecular Formula C16H20BrN5O6
Exact Mass 457.059696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsjejQ7QpYZ
Name 9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo]adenosine
Comments Less than 3 mono-isotopic peaks
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Formula C16H20BrN5O6
InChI InChI=1S/C16H20BrN5O6/c1-7(23)28-16(2,3)15(25)26-4-8-9(17)11(24)14(27-8)22-6-21-10-12(18)19-5-20-13(10)22/h5-6,8-9,11,14,24H,4H2,1-3H3,(H2,18,19,20)
InChIKey UMYCNABQNVPBTQ-UHFFFAOYSA-N
Molecular Weight 458.269 g/mol
SMILES OC1C([n]2c3c(c(ncn3)N)nc2)OC(C1Br)COC(C(OC(=O)C)(C)C)=O
SPLASH splash10-000i-0900100000-ec2dd784bb8dd1daf461
Source of Spectrum SO-0-479-4
Wiley ID 1543140