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2,21,23,42-Tetraoxa-1,22(1,3,4)-dibenzena-43(2,9)-1,10-phenanthrolinabicyclo[20.20.1]tritetracontaphane
SpectraBase Compound ID LCHCaQ2ZKbu
InChI InChI=1S/C60H84N2O4/c1-2-6-10-14-18-22-26-30-44-64-56-42-37-51-47-58(56)66-46-32-28-24-20-16-12-8-4-3-7-11-15-19-23-27-31-45-65-57-48-52(63-43-29-25-21-17-13-9-5-1)38-39-53(57)55-41-36-50-34-33-49-35-40-54(51)61-59(49)60(50)62-55/h33-42,47-48H,1-32,43-46H2
InChIKey HMUFJBCHYHNDOS-UHFFFAOYSA-N
Mol Weight 897.3 g/mol
Molecular Formula C60H84N2O4
Exact Mass 896.643109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9AYWVGyu97
Name 2,21,23,42-Tetraoxa-1,22(1,3,4)-dibenzena-43(2,9)-1,10-phenanthrolinabicyclo[20.20.1]tritetracontaphane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H84N2O4
InChI InChI=1S/C60H84N2O4/c1-2-6-10-14-18-22-26-30-44-64-56-42-37-51-47-58(56)66-46-32-28-24-20-16-12-8-4-3-7-11-15-19-23-27-31-45-65-57-48-52(63-43-29-25-21-17-13-9-5-1)38-39-53(57)55-41-36-50-34-33-49-35-40-54(51)61-59(49)60(50)62-55/h33-42,47-48H,1-32,43-46H2
InChIKey HMUFJBCHYHNDOS-UHFFFAOYSA-N
Molecular Weight 897.342 g/mol
SMILES c12nc3-c4c5OCCCCCCCCCCCCCCCCCCOc6cc(-c7nc2c(ccc1cc3)cc7)ccc6OCCCCCCCCCCCCCCCCCCOc(cc4)c5
SPLASH splash10-000b-0000001920-2f82a45e3a3623bff374
Source of Spectrum U1-2009-2333-3b
Wiley ID 1662894