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N-[2-Amino-6-(2-phenylethyloxy)-purin-9-yl]-2-deoxy-b-d-ribofuranoside
SpectraBase Compound ID JNPNdnERyAz
InChI InChI=1S/C18H21N5O4/c19-18-21-16-15(17(22-18)26-7-6-11-4-2-1-3-5-11)20-10-23(16)14-8-12(25)13(9-24)27-14/h1-5,10,12-14,24-25H,6-9H2,(H2,19,21,22)/t12-,13+,14+/m0/s1
InChIKey OJZHNZOFIPIVQS-BFHYXJOUSA-N
Mol Weight 371.4 g/mol
Molecular Formula C18H21N5O4
Exact Mass 371.159354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cebjNQxCZr
Name N-[2-Amino-6-(2-phenylethyloxy)-purin-9-yl]-2-deoxy-B-D-ribofuranoside
Comments Computed using HOSE algorithm
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Exact Mass 371.159354172 u
Formula C18H21N5O4
InChI InChI=1S/C18H21N5O4/c19-18-21-16-15(17(22-18)26-7-6-11-4-2-1-3-5-11)20-10-23(16)14-8-12(25)13(9-24)27-14/h1-5,10,12-14,24-25H,6-9H2,(H2,19,21,22)/t12-,13+,14+/m0/s1
InChIKey OJZHNZOFIPIVQS-BFHYXJOUSA-N
Molecular Weight 371.397 g/mol
SMILES Nc1nc2c(N=CN2[C@]2(C[C@@]([C@](O2)(CO)[H])(O)[H])[H])c(n1)OCCc1ccccc1