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9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo]inosine
SpectraBase Compound ID KltJIdQtz2p
InChI InChI=1S/C16H19BrN4O7/c1-7(22)28-16(2,3)15(25)26-4-8-9(17)11(23)14(27-8)21-6-20-10-12(21)18-5-19-13(10)24/h5-6,8-9,11,14,23H,4H2,1-3H3,(H,18,19,24)
InChIKey XBBBHNIMOQLNRV-UHFFFAOYSA-N
Mol Weight 459.25 g/mol
Molecular Formula C16H19BrN4O7
Exact Mass 458.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gtbqhm1erNR
Name 9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo]inosine
Comments Less than 3 mono-isotopic peaks
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Formula C16H19BrN4O7
InChI InChI=1S/C16H19BrN4O7/c1-7(22)28-16(2,3)15(25)26-4-8-9(17)11(23)14(27-8)21-6-20-10-12(21)18-5-19-13(10)24/h5-6,8-9,11,14,23H,4H2,1-3H3,(H,18,19,24)
InChIKey XBBBHNIMOQLNRV-UHFFFAOYSA-N
Molecular Weight 459.253 g/mol
SMILES N1C(c2c([n](C3C(C(C(O3)COC(C(OC(=O)C)(C)C)=O)Br)O)cn2)N=C1)=O
SPLASH splash10-000i-0900000000-e06a91b3772487890b03
Source of Spectrum SO-0-479-4
Wiley ID 1543139