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1(3),3(3)-Dimethyl-4,13-dioxa-1,3(1,2)-dibenzena-2(2,9)-1,10-phenanthrolinacyclotridecaphane
SpectraBase Compound ID DTAYvlWRABs
InChI InChI=1S/C34H34N2O4/c1-37-27-11-9-13-29-31(27)25-19-17-23-15-16-24-18-20-26(36-34(24)33(23)35-25)32-28(38-2)12-10-14-30(32)40-22-8-6-4-3-5-7-21-39-29/h9-20H,3-8,21-22H2,1-2H3
InChIKey AGEIQYIVCDHESB-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C34H34N2O4
Exact Mass 534.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uRzmPuQM9Z
Name 1(3),3(3)-Dimethyl-4,13-dioxa-1,3(1,2)-dibenzena-2(2,9)-1,10-phenanthrolinacyclotridecaphane
Comments Less than 3 mono-isotopic peaks
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Formula C34H34N2O4
InChI InChI=1S/C34H34N2O4/c1-37-27-11-9-13-29-31(27)25-19-17-23-15-16-24-18-20-26(36-34(24)33(23)35-25)32-28(38-2)12-10-14-30(32)40-22-8-6-4-3-5-7-21-39-29/h9-20H,3-8,21-22H2,1-2H3
InChIKey AGEIQYIVCDHESB-UHFFFAOYSA-N
Molecular Weight 534.656 g/mol
SMILES c1-2nc3c4nc(-c5c(OCCCCCCCCOc6c2c(ccc6)OC)cccc5OC)ccc4ccc3cc1
SPLASH splash10-001i-0000090000-0a0b100e1283da89317d
Source of Spectrum K1-2004-3123-2
Wiley ID 1561207