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2-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-yl)amino]ethanol, o-acetyl
SpectraBase Compound ID xSc8sXSB1o
InChI InChI=1S/C22H19N3O3/c1-15(26)27-13-12-23-21-19-18(16-8-4-2-5-9-16)20(17-10-6-3-7-11-17)28-22(19)25-14-24-21/h2-11,14H,12-13H2,1H3,(H,23,24,25)
InChIKey PVTDXGOEYMEDSF-UHFFFAOYSA-N
Mol Weight 373.41 g/mol
Molecular Formula C22H19N3O3
Exact Mass 373.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvA8rgFkTb2
Name 2-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-yl)amino]ethanol, o-acetyl
Comments Computed using HOSE algorithm
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Exact Mass 373.142641481 u
Formula C22H19N3O3
InChI InChI=1S/C22H19N3O3/c1-15(26)27-13-12-23-21-19-18(16-8-4-2-5-9-16)20(17-10-6-3-7-11-17)28-22(19)25-14-24-21/h2-11,14H,12-13H2,1H3,(H,23,24,25)
InChIKey PVTDXGOEYMEDSF-UHFFFAOYSA-N
Molecular Weight 373.412 g/mol
SMILES C(NC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1)COC(C)=O