![(9E,14E,24E,29E)-Hexabenzo[d,f,jk,o,q,uv]dodecalene](/api/spectrum/7dUtvUGupiX/structure.png?h=300&w=458 "(9E,14E,24E,29E)-Hexabenzo[d,f,jk,o,q,uv]dodecalene")
| SpectraBase Compound ID | 1s6VVApQmH1 |
|---|---|
| InChI | InChI=1S/C44H30/c1-5-19-39-31(11-1)23-27-35-15-9-16-36-29-25-33-13-3-7-21-41(33)42-22-8-4-14-34(42)26-30-38-18-10-17-37(44(38)43(35)36)28-24-32-12-2-6-20-40(32)39/h1-30H/b27-23-,28-24-,29-25-,30-26-,31-23+,32-24+,33-25+,34-26+,35-27+,36-29+,37-28+,38-30+,40-39-,42-41-,44-43- |
| InChIKey | QUNGXINNBAKWDW-JWJHGXHSSA-N |
| Mol Weight | 558.7 g/mol |
| Molecular Formula | C44H30 |
| Exact Mass | 558.234751 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7dUtvUGupiX |
|---|---|
| Name | (9E,14E,24E,29E)-Hexabenzo[d,f,jk,o,q,uv]dodecalene |
| Alternate Name(s) | (9E,14Z,24Z,29E)-Hexabenzo[d,f,jk,o,q,uv]dodecalene (2Z,16Z,23Z,37Z)-octacyclo[20.20.2.0(4,9).0(10,15).0(18,44).0(25,30).0(31,36).0(39,43)]tetratetraconta-1(43),2,4(9),5,7,10(15),11,13,16,18(44),19,21,23,25(30),26,28,31(36),32,34,37,39,41-docosaene |
| CAS Registry Number | 69609-72-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H30 |
| InChI | InChI=1S/C44H30/c1-5-19-39-31(11-1)23-27-35-15-9-16-36-29-25-33-13-3-7-21-41(33)42-22-8-4-14-34(42)26-30-38-18-10-17-37(44(38)43(35)36)28-24-32-12-2-6-20-40(32)39/h1-30H/b27-23-,28-24-,29-25-,30-26-,31-23+,32-24+,33-25+,34-26+,35-27+,36-29+,37-28+,38-30+,40-39-,42-41-,44-43- |
| InChIKey | QUNGXINNBAKWDW-JWJHGXHSSA-N |
| Molecular Weight | 558.724 g/mol |
| SMILES | c12-c3c4\C=C/c5ccccc5-c5c(\C=C/c2cccc1\C=C/c1c(-c2ccccc2\C=C/c3ccc4)cccc1)cccc5 |
| SPLASH | splash10-0fc0-0879000000-b95a753c557781d357df |
| Source of Spectrum | J-44-1940-0 |
| Wiley ID | 1406626 |