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2-{[5,6-bis(4-Methoxyphenyl)furo[2,3-D]pyrimidin-4-yl]amino}ethanol
SpectraBase Compound ID HT5Dzq6aXhh
InChI InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
InChIKey ARBUGBBNEFAECO-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C22H21N3O4
Exact Mass 391.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HrhSfa4vWD
Name 2-{[5,6-bis(4-Methoxyphenyl)furo[2,3-D]pyrimidin-4-yl]amino}ethanol
Comments Computed using HOSE algorithm
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Exact Mass 391.153206164 u
Formula C22H21N3O4
InChI InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
InChIKey ARBUGBBNEFAECO-UHFFFAOYSA-N
Molecular Weight 391.427 g/mol
SMILES C(NC1=NC=NC2=C1C(=C(O2)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)CO