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2,8-bis[4-(4-Methylpiperidino)butyryl]dibenzofuran
SpectraBase Compound ID GSUYTbpHeFS
InChI InChI=1S/C32H42N2O3/c1-23-11-17-33(18-12-23)15-3-5-29(35)25-7-9-31-27(21-25)28-22-26(8-10-32(28)37-31)30(36)6-4-16-34-19-13-24(2)14-20-34/h7-10,21-24H,3-6,11-20H2,1-2H3
InChIKey JYTXZNKJPZKXCI-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C32H42N2O3
Exact Mass 502.319543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9OQvRddzRv
Name 2,8-bis[4-(4-Methylpiperidino)butyryl]dibenzofuran
Comments Computed using HOSE algorithm
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Exact Mass 502.319543217 u
Formula C32H42N2O3
InChI InChI=1S/C32H42N2O3/c1-23-11-17-33(18-12-23)15-3-5-29(35)25-7-9-31-27(21-25)28-22-26(8-10-32(28)37-31)30(36)6-4-16-34-19-13-24(2)14-20-34/h7-10,21-24H,3-6,11-20H2,1-2H3
InChIKey JYTXZNKJPZKXCI-UHFFFAOYSA-N
Molecular Weight 502.699 g/mol
SMILES C=1(C=CC2=C(C1)C1=C(O2)C=CC(=C1)C(=O)CCCN1CCC(CC1)C)C(=O)CCCN1CCC(CC1)C