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Imidazole, 2-fluoro-1-tribenzoylribofuranosyl-
SpectraBase Compound ID 8EVuZExizfO
InChI InChI=1S/C29H23FN2O7/c30-29-31-16-17-32(29)25-24(39-28(35)21-14-8-3-9-15-21)23(38-27(34)20-12-6-2-7-13-20)22(37-25)18-36-26(33)19-10-4-1-5-11-19/h1-17,22-25H,18H2
InChIKey VQFVBAZCFFZNGP-UHFFFAOYSA-N
Mol Weight 530.51 g/mol
Molecular Formula C29H23FN2O7
Exact Mass 530.148929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TWu5mzVBgN
Name Imidazole, 2-fluoro-1-tribenzoylribofuranosyl-
Comments Computed using HOSE algorithm
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Exact Mass 530.148929245 u
Formula C29H23FN2O7
InChI InChI=1S/C29H23FN2O7/c30-29-31-16-17-32(29)25-24(39-28(35)21-14-8-3-9-15-21)23(38-27(34)20-12-6-2-7-13-20)22(37-25)18-36-26(33)19-10-4-1-5-11-19/h1-17,22-25H,18H2
InChIKey VQFVBAZCFFZNGP-UHFFFAOYSA-N
Molecular Weight 530.508 g/mol
SMILES C1(C(C(COC(C2=CC=CC=C2)=O)OC1N1C=CN=C1F)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1