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8-Bromo-2'-deoxycarbaguanosine
SpectraBase Compound ID 5Q8bpw3GHxv
InChI InChI=1S/C11H14BrN5O3/c1-4-2-6(20-5(4)3-18)17-8-7(14-10(17)12)9(19)16-11(13)15-8/h4-6,18H,2-3H2,1H3,(H3,13,15,16,19)/t4-,5+,6+/m0/s1
InChIKey HKRDAVUUQYFTMH-KVQBGUIXSA-N
Mol Weight 344.17 g/mol
Molecular Formula C11H14BrN5O3
Exact Mass 343.028002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B43WwrpI41o
Name 8-Bromo-2'-deoxycarbaguanosine
Comments Less than 3 mono-isotopic peaks
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Formula C11H14BrN5O3
InChI InChI=1S/C11H14BrN5O3/c1-4-2-6(20-5(4)3-18)17-8-7(14-10(17)12)9(19)16-11(13)15-8/h4-6,18H,2-3H2,1H3,(H3,13,15,16,19)/t4-,5+,6+/m0/s1
InChIKey HKRDAVUUQYFTMH-KVQBGUIXSA-N
Molecular Weight 344.169 g/mol
SMILES N1C(c2nc([n](c2N=C1N)[C@@]1(O[C@](CO)([C@](C1)(C)[H])[H])[H])Br)=O
SPLASH splash10-0007-0009000000-553751fcd5865706d81b
Source of Spectrum CRT-11-196-13
Wiley ID 1709785