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1,N(2)-(1,3-Propano)-2'-deoxy-guanosine
SpectraBase Compound ID HIpnU4zaYmW
InChI InChI=1S/C13H17N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h6-9,19-20H,1-5H2,(H,14,16)/t7?,8-,9?/m0/s1
InChIKey HGYWFMCWAWUWRE-MGURRDGZSA-N
Mol Weight 307.31 g/mol
Molecular Formula C13H17N5O4
Exact Mass 307.128054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JolhR6slpE
Name 1,N(2)-(1,3-Propano)-2'-deoxy-guanosine
Comments Computed using HOSE algorithm
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Exact Mass 307.128054043 u
Formula C13H17N5O4
InChI InChI=1S/C13H17N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h6-9,19-20H,1-5H2,(H,14,16)/t7?,8-,9?/m0/s1
InChIKey HGYWFMCWAWUWRE-MGURRDGZSA-N
Molecular Weight 307.310 g/mol
SMILES C1=2N=C3NCCCN3C(C2N=CN1C1O[C@@](CO)(C(C1)O)[H])=O