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4,23-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclotricosaphane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4,23-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclotricosaphane
SpectraBase Compound ID 17OBZ3DwXxA
InChI InChI=1S/C42H50N2O2/c1-2-4-6-8-10-12-14-16-32-46-38-27-21-34(22-28-38)40-30-24-36-18-17-35-23-29-39(43-41(35)42(36)44-40)33-19-25-37(26-20-33)45-31-15-13-11-9-7-5-3-1/h17-30H,1-16,31-32H2
InChIKey OBXNAIGNGAHERM-UHFFFAOYSA-N
Mol Weight 614.9 g/mol
Molecular Formula C42H50N2O2
Exact Mass 614.387229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNhlKlkWmCS
Name 4,23-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclotricosaphane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.387228856 u
Formula C42H50N2O2
InChI InChI=1S/C42H50N2O2/c1-2-4-6-8-10-12-14-16-32-46-38-27-21-34(22-28-38)40-30-24-36-18-17-35-23-29-39(43-41(35)42(36)44-40)33-19-25-37(26-20-33)45-31-15-13-11-9-7-5-3-1/h17-30H,1-16,31-32H2
InChIKey OBXNAIGNGAHERM-UHFFFAOYSA-N
Molecular Weight 614.874 g/mol
SMILES C1=2N=C3C=4C=CC(OCCCCCCCCCCCCCCCCCCOC5=CC=C(C6=NC2C(=CC=C1C=C3)C=C6)C=C5)=CC4