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3-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-yl)amino]-1-propanol, tms derivative
SpectraBase Compound ID 8iZmW24O1EQ
InChI InChI=1S/C24H27N3O2Si/c1-30(2,3)28-16-10-15-25-23-21-20(18-11-6-4-7-12-18)22(19-13-8-5-9-14-19)29-24(21)27-17-26-23/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,25,26,27)
InChIKey GESBAVNJXSSUNU-UHFFFAOYSA-N
Mol Weight 417.58 g/mol
Molecular Formula C24H27N3O2Si
Exact Mass 417.187254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4loJVimBcRd
Name 3-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-yl)amino]-1-propanol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 417.187253654 u
Formula C24H27N3O2Si
InChI InChI=1S/C24H27N3O2Si/c1-30(2,3)28-16-10-15-25-23-21-20(18-11-6-4-7-12-18)22(19-13-8-5-9-14-19)29-24(21)27-17-26-23/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,25,26,27)
InChIKey GESBAVNJXSSUNU-UHFFFAOYSA-N
Molecular Weight 417.584 g/mol
SMILES C(CCNC=1C2=C(N=CN1)OC(=C2C1=CC=CC=C1)C1=CC=CC=C1)O[Si](C)(C)C