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16,34-Dimethylene-5H,17H,23H,35H-16,17,33,34-tetrahydrotetrabenzo[b,i,p,w][1,11,15,25,4,5,7,8,18,19,21,22]tetraoxaoctaazacyclooctacosine-7,25-dicarbonitrile
SpectraBase Compound ID 3HHKXogTTr7
InChI InChI=1S/C36H30N10O4/c1-25-21-47-31-15-7-3-11-27(31)39-43-35(19-37)45-41-29-13-5-9-17-33(29)49-23-26(2)24-50-34-18-10-6-14-30(34)42-46-36(20-38)44-40-28-12-4-8-16-32(28)48-22-25/h3-18,39,42H,1-2,21-24H2/b43-35-,44-40-,45-41-,46-36-
InChIKey VKGDMLXDDBNPSL-DPUVZTQJSA-N
Mol Weight 666.7 g/mol
Molecular Formula C36H30N10O4
Exact Mass 666.245149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WhiWX0niyz
Name 16,34-Dimethylene-5H,17H,23H,35H-16,17,33,34-tetrahydrotetrabenzo[b,i,p,w][1,11,15,25,4,5,7,8,18,19,21,22]tetraoxaoctaazacyclooctacosine-7,25-dicarbonitrile
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Formula C36H30N10O4
InChI InChI=1S/C36H30N10O4/c1-25-21-47-31-15-7-3-11-27(31)39-43-35(19-37)45-41-29-13-5-9-17-33(29)49-23-26(2)24-50-34-18-10-6-14-30(34)42-46-36(20-38)44-40-28-12-4-8-16-32(28)48-22-25/h3-18,39,42H,1-2,21-24H2/b43-35-,44-40-,45-41-,46-36-
InChIKey VKGDMLXDDBNPSL-DPUVZTQJSA-N
Molecular Weight 666.702 g/mol
SMILES N1c2c(OCC(COc3c(\N=N/C(=N\Nc4c(OCC(COc5c(\N=N/C(C#N)=N/1)cccc5)=C)cccc4)C#N)cccc3)=C)cccc2
SPLASH splash10-0a4i-0920000000-3d153d301847e1e462f1
Source of Spectrum F-54-12426-4
Synonyms 16,34-dimethylene-16,17,34,35-tetrahydro-5H,15H,23H,33H-tetrabenzo[b,i,p,w][1,11,15,25,4,5,7,8,18,19,21,22]tetraoxaoctaazacyclooctacosine-7,25-dicarbonitrile
Wiley ID 809189