![5,36[1',2']:18,23[1'',2'']-Dibenzeno-10,13:28,31-diethenodibenzo[a,q]cyclodotriacontene, (E,E,E,E,Z,Z,Z,Z)-](/api/spectrum/8Z09gZBjAxk/structure.png?h=300&w=458 "5,36[1',2']:18,23[1'',2'']-Dibenzeno-10,13:28,31-diethenodibenzo[a,q]cyclodotriacontene, (E,E,E,E,Z,Z,Z,Z)-")
| SpectraBase Compound ID | L76JCbjljQT |
|---|---|
| InChI | InChI=1S/C56H40/c1-5-21-45-49-25-9-11-27-51(49)46(52-28-12-10-26-50(45)52)22-7-3-19-43-37-39-44(40-38-43)20-4-8-24-48-55-31-15-13-29-53(55)47(54-30-14-16-32-56(48)54)23-6-2-18-42-35-33-41(17-1)34-36-42/h1-40H/b5-1+,6-2+,7-3+,8-4+,17-1-,18-2-,19-3-,20-4-,21-5+,22-7+,23-6+,24-8+,41-17-,42-18-,43-19-,44-20-,45-21-,46-22-,47-23-,48-24- |
| InChIKey | RDJAIEWBKJSNNL-JVQDBASBSA-N |
| Mol Weight | 712.9 g/mol |
| Molecular Formula | C56H40 |
| Exact Mass | 712.313001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Z09gZBjAxk |
|---|---|
| Name | 5,36[1',2']:18,23[1'',2'']-Dibenzeno-10,13:28,31-diethenodibenzo[a,q]cyclodotriacontene, (E,E,E,E,Z,Z,Z,Z)- |
| Alternate Name(s) | 5,36[1',2']:18,23[1'',2'']-dibenzeno-10,13:28,31-diethenodibenzo[a,q]cyclodotriacontene, (E,E,E,E,z,Z,z,Z)- nonacyclo[32.6.6.6(14,21).2(6,9).2(26,29).0(15,20).0(35,40).0(41,46).0(47,52)]hexapentaconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,41,43,45,47,49,51,53,55-octacosaene [4](9,10)anthraceno-[4]para[4](9,10)anthraceno[4]paracyclophane-cis-trans,trans,cis,cis,trans,trans,cis-octane [4](9,10)anthraceno[4]para[4](9,10)anthraceno[4]paracyclophane-cis-trans,cis,cis,trans,trans,cis-octaene |
| CAS Registry Number | 73377-20-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H40 |
| InChI | InChI=1S/C56H40/c1-5-21-45-49-25-9-11-27-51(49)46(52-28-12-10-26-50(45)52)22-7-3-19-43-37-39-44(40-38-43)20-4-8-24-48-55-31-15-13-29-53(55)47(54-30-14-16-32-56(48)54)23-6-2-18-42-35-33-41(17-1)34-36-42/h1-40H/b5-1+,6-2+,7-3+,8-4+,17-1-,18-2-,19-3-,20-4-,21-5+,22-7+,23-6+,24-8+,41-17-,42-18-,43-19-,44-20-,45-21-,46-22-,47-23-,48-24- |
| InChIKey | RDJAIEWBKJSNNL-JVQDBASBSA-N |
| Molecular Weight | 712.936 g/mol |
| SMILES | c12c3c(cccc3)c(c3c1cccc3)\C=C\C=C/c1ccc(\C=C/C=C/c3c4c(c(\C=C\C=C/c5ccc(\C=C/C=C/2)cc5)c2c3cccc2)cccc4)cc1 |
| SPLASH | splash10-03di-0080001900-0c6e450972e38a76d360 |
| Source of Spectrum | SB-33-465-0 |
| Wiley ID | 1415426 |