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2,13,15,26-Tetraoxa-1,14(1,3,2)-dibenzena-27(2,9)-1,10-phenanthrolinabicyclo[12,12,1]heptacosaphane
SpectraBase Compound ID G07dvlrlnDO
InChI InChI=1S/C44H52N2O4/c1-2-6-10-14-30-48-38-20-18-22-40-42(38)36-28-26-34-24-23-33-25-27-35(45-43(33)44(34)46-36)41-37(47-29-13-9-5-1)19-17-21-39(41)49-31-15-11-7-3-4-8-12-16-32-50-40/h17-28H,1-16,29-32H2
InChIKey YEEWZILYIWICSE-UHFFFAOYSA-N
Mol Weight 672.9 g/mol
Molecular Formula C44H52N2O4
Exact Mass 672.392708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wG8XTzdnh5
Name 2,13,15,26-Tetraoxa-1,14(1,3,2)-dibenzena-27(2,9)-1,10-phenanthrolinabicyclo[12,12,1]heptacosaphane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H52N2O4
InChI InChI=1S/C44H52N2O4/c1-2-6-10-14-30-48-38-20-18-22-40-42(38)36-28-26-34-24-23-33-25-27-35(45-43(33)44(34)46-36)41-37(47-29-13-9-5-1)19-17-21-39(41)49-31-15-11-7-3-4-8-12-16-32-50-40/h17-28H,1-16,29-32H2
InChIKey YEEWZILYIWICSE-UHFFFAOYSA-N
Molecular Weight 672.910 g/mol
SMILES c1-2nc3c4nc(-c5c6OCCCCCCCCCCOc7c2c(OCCCCCCCCCCOc5ccc6)ccc7)ccc4ccc3cc1
SPLASH splash10-00di-0000019000-c06b16fe592803ed6286
Source of Spectrum K1-2004-3123-2
Wiley ID 1561208