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.alpha.-Ribazole dibenzoate

View entire compound with spectra: 1 NMR

.alpha.-Ribazole dibenzoate
SpectraBase Compound ID IqN1NyPoIQ5
InChI InChI=1S/C28H26N2O6/c1-17-13-21-22(14-18(17)2)30(16-29-21)26-24(31)25(36-28(33)20-11-7-4-8-12-20)23(35-26)15-34-27(32)19-9-5-3-6-10-19/h3-14,16,23-26,31H,15H2,1-2H3
InChIKey NGWKATPWMMDHEG-UHFFFAOYSA-N
Mol Weight 486.52 g/mol
Molecular Formula C28H26N2O6
Exact Mass 486.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGYpe3pfRns
Name .alpha.-Ribazole dibenzoate
Comments Computed using HOSE algorithm
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Exact Mass 486.179086559 u
Formula C28H26N2O6
InChI InChI=1S/C28H26N2O6/c1-17-13-21-22(14-18(17)2)30(16-29-21)26-24(31)25(36-28(33)20-11-7-4-8-12-20)23(35-26)15-34-27(32)19-9-5-3-6-10-19/h3-14,16,23-26,31H,15H2,1-2H3
InChIKey NGWKATPWMMDHEG-UHFFFAOYSA-N
Molecular Weight 486.524 g/mol
SMILES C1=NC2=C(N1C1OC(COC(C=3C=CC=CC3)=O)C(C1O)OC(C1=CC=CC=C1)=O)C=C(C(=C2)C)C