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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lR2ySSHnLm
Name 4,23-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclotricosaphane
Comments Less than 3 mono-isotopic peaks
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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 c12nc3-c4ccc(OCCCCCCCCCCCCCCCCCCOc5ccc(-c6nc2c(ccc1cc3)cc6)cc5)cc4
SPLASH splash10-03di-0007009000-1e86e823acf58f5d0f6f
Source of Spectrum U1-2009-2333-4c
Wiley ID 1662891