![Dimethoxy-para-Bis[benzocycloheptenobenzocyclohepteno]benzene](/api/spectrum/Ge2MLSgAXvT/structure.png?h=300&w=458 "Dimethoxy-para-Bis[benzocycloheptenobenzocyclohepteno]benzene")
| SpectraBase Compound ID | CvkjuZG9mrh |
|---|---|
| InChI | InChI=1S/C44H34O2/c1-45-43-39-35-17-37(33-15-29-25-11-23(27(29)13-31(33)35)19-7-3-5-9-21(19)25)41(39)44(46-2)42-38-18-36(40(42)43)32-14-28-24-12-26(30(28)16-34(32)38)22-10-6-4-8-20(22)24/h3-10,13-16,23-26,35-38H,11-12,17-18H2,1-2H3/t23-,24+,25+,26-,35-,36-,37+,38+ |
| InChIKey | YQARJORPMYXNCQ-PFZNKJGSSA-N |
| Mol Weight | 594.8 g/mol |
| Molecular Formula | C44H34O2 |
| Exact Mass | 594.25588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ge2MLSgAXvT |
|---|---|
| Name | Dimethoxy-para-Bis[benzocycloheptenobenzocyclohepteno]benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H34O2 |
| InChI | InChI=1S/C44H34O2/c1-45-43-39-35-17-37(33-15-29-25-11-23(27(29)13-31(33)35)19-7-3-5-9-21(19)25)41(39)44(46-2)42-38-18-36(40(42)43)32-14-28-24-12-26(30(28)16-34(32)38)22-10-6-4-8-20(22)24/h3-10,13-16,23-26,35-38H,11-12,17-18H2,1-2H3/t23-,24+,25+,26-,35-,36-,37+,38+ |
| InChIKey | YQARJORPMYXNCQ-PFZNKJGSSA-N |
| Molecular Weight | 594.754 g/mol |
| SMILES | c12c([C@]3(C[C@@]1(c1c3cc3c(c1)[C@@]1(c4c(cccc4)[C@]3(C1)[H])[H])[H])[H])c(OC)c1c(c2OC)[C@]2(c3c(cc4c(c3)[C@]3(c5c(cccc5)[C@@]4(C3)[H])[H])[C@@]1(C2)[H])[H] |
| SPLASH | splash10-0007-0000090000-03c06d8965795e345172 |
| Source of Spectrum | K1-2004-1416-1 |
| Wiley ID | 1560629 |