![5,18[1',2']:7,16[1'',2'']-Dibenzenoheptacene, 5,7,16,18-tetrahydro-](/api/spectrum/5anzy7Fi27U/structure.png?h=300&w=458 "5,18[1',2']:7,16[1'',2'']-Dibenzenoheptacene, 5,7,16,18-tetrahydro-")
| SpectraBase Compound ID | 4Zly45ZKK1X |
|---|---|
| InChI | InChI=1S/C42H26/c1-2-10-24-18-26-20-34-33(19-25(26)17-23(24)9-1)41-31-15-7-8-16-32(31)42(34)38-22-36-35(21-37(38)41)39-27-11-3-5-13-29(27)40(36)30-14-6-4-12-28(30)39/h1-22,39-42H/t39-,40+,41-,42+ |
| InChIKey | PJGXGRKKXMYWKL-LDCYWHLHSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C42H26 |
| Exact Mass | 530.203451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5anzy7Fi27U |
|---|---|
| Name | 5,18[1',2']:7,16[1'',2'']-Dibenzenoheptacene, 5,7,16,18-tetrahydro- |
| CAS Registry Number | 106774-56-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H26 |
| InChI | InChI=1S/C42H26/c1-2-10-24-18-26-20-34-33(19-25(26)17-23(24)9-1)41-31-15-7-8-16-32(31)42(34)38-22-36-35(21-37(38)41)39-27-11-3-5-13-29(27)40(36)30-14-6-4-12-28(30)39/h1-22,39-42H/t39-,40+,41-,42+ |
| InChIKey | PJGXGRKKXMYWKL-LDCYWHLHSA-N |
| Molecular Weight | 530.670 g/mol |
| SMILES | [C@@]12(c3c(cc4[C@]5(c6ccccc6[C@@](c4c3)(c3ccccc53)[H])[H])[C@@](c3c2cccc3)(c2c1cc1c(cc3c(c1)cccc3)c2)[H])[H] |
| SPLASH | splash10-001i-9003080000-75d38dd7fad06c27d012 |
| Source of Spectrum | F-42-1653-52 |
| Synonyms | 5,18[1',2'],7,16[1',2']dibenzeno-5,7,16,18-tetrahydro-heptacene 5,18[1',2']:7,16[1'',2'']-dibenzenoheptacene, 5,7,16,18-tetrahydro- undecacyclo[14.14.6.6(5,12).0(2,15).0(4,13).0(6,11).0(17,30).0(19,28).0(21,26).0(31,36).0(37,42)]dotetraconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33,35,37,39,41-nonadecaene |
| Wiley ID | 1403429 |