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6,21-Dimethoxy-1,26-diazaeheptacyclotetracosa-dodecaene
SpectraBase Compound ID Cd2g5QuITzC
InChI InChI=1S/C28H22N2O2/c1-31-21-5-7-23-17(13-21)11-19-9-15-3-4-16-10-20-12-18-14-22(32-2)6-8-24(18)26(20)30-28(16)27(15)29-25(19)23/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKey ANQOTWNSTKXJFC-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C28H22N2O2
Exact Mass 418.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALzhCdIsVLv
Name 6,21-Dimethoxy-1,26-diazaeheptacyclotetracosa-dodecaene
Alternate Name(s) 3,12-dimethoxy-5,7,8,10-tetrahydrodiindeno[1,2-b:2,1-j][1,10]phenanthroline Bipyridine derivative
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Formula C28H22N2O2
InChI InChI=1S/C28H22N2O2/c1-31-21-5-7-23-17(13-21)11-19-9-15-3-4-16-10-20-12-18-14-22(32-2)6-8-24(18)26(20)30-28(16)27(15)29-25(19)23/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKey ANQOTWNSTKXJFC-UHFFFAOYSA-N
Molecular Weight 418.496 g/mol
SMILES c-12nc-3c(cc2Cc2c1ccc(OC)c2)CCc1cc2Cc4c(-c2nc31)ccc(c4)OC
SPLASH splash10-00or-0719000000-e972859453a50d895f6c
Source of Spectrum U1-1998-2612-8
Wiley ID 751928