![5,18[1',2']:9,14[1'',2'']-Dibenzeno-7,16-ethanoheptacene, 5,7,9,14,16,18-hexahydro-25,26-bis(methylene)-](/api/spectrum/7MYHWIn44F5/structure.png?h=300&w=458 "5,18[1',2']:9,14[1'',2'']-Dibenzeno-7,16-ethanoheptacene, 5,7,9,14,16,18-hexahydro-25,26-bis(methylene)-")
| SpectraBase Compound ID | 7m5H1ecFNUm |
|---|---|
| InChI | InChI=1S/C46H30/c1-23-24(2)42-35-21-39-37(43-25-11-3-7-15-29(25)45(39)30-16-8-4-12-26(30)43)19-33(35)41(23)34-20-38-40(22-36(34)42)46-31-17-9-5-13-27(31)44(38)28-14-6-10-18-32(28)46/h3-22,41-46H,1-2H2/t41-,42+,43-,44?,45+,46? |
| InChIKey | SKRVYQMJIGESBX-DRGKOKLWSA-N |
| Mol Weight | 582.7 g/mol |
| Molecular Formula | C46H30 |
| Exact Mass | 582.234751 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7MYHWIn44F5 |
|---|---|
| Name | 5,18[1',2']:9,14[1'',2'']-Dibenzeno-7,16-ethanoheptacene, 5,7,9,14,16,18-hexahydro-25,26-bis(methylene)- |
| CAS Registry Number | 103960-15-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H30 |
| InChI | InChI=1S/C46H30/c1-23-24(2)42-35-21-39-37(43-25-11-3-7-15-29(25)45(39)30-16-8-4-12-26(30)43)19-33(35)41(23)34-20-38-40(22-36(34)42)46-31-17-9-5-13-27(31)44(38)28-14-6-10-18-32(28)46/h3-22,41-46H,1-2H2/t41-,42+,43-,44?,45+,46? |
| InChIKey | SKRVYQMJIGESBX-DRGKOKLWSA-N |
| Molecular Weight | 582.746 g/mol |
| SMILES | C1(C([C@]2(c3c([C@@]1(c1c2cc2[C@@]4(c5ccccc5[C@](c2c1)(c1ccccc41)[H])[H])[H])cc1C2c4ccccc4C(c1c3)c1ccccc21)[H])=C)=C |
| SPLASH | splash10-004l-8900000000-10308a7de4d6ad57c06c |
| Source of Spectrum | C-108-6679-11 |
| Synonyms | 43,44-dimethylenedodecacyclo[22.6.6.6(9,16).2(5,20).0(2,23).0(4,21).0(6,19).0(8,17).0(10,15).0(25,30).0(31,36).0(37,42)]tetratetraconta-2(23),3,6(19),7,10,12,14,17,21,25,27,29,31,33,35,37,39,41-octadecaene 5,18[1',2']:9,14[1'',2'']-dibenzeno-7,16-ethanoheptacene, 5,7,9,14,16,18-hexahydro-25,26-bis(methylene)- |
| Wiley ID | 1408731 |