![Hexacyclo[28.3.1.2(11,14).2(17,20).1(4,8).1(23,27)]nonatriconta[1(33),4,6,8(39),11,13,17,19,23,25,27(34),30,32,35,37]pentadecaene](/api/spectrum/B0NzNNeWhMW/structure.png?h=300&w=458 "Hexacyclo[28.3.1.2(11,14).2(17,20).1(4,8).1(23,27)]nonatriconta[1(33),4,6,8(39),11,13,17,19,23,25,27(34),30,32,35,37]pentadecaene")
| SpectraBase Compound ID | HJnJ7Eomf32 |
|---|---|
| InChI | InChI=1S/C40H40/c1-4-35-22-20-33-16-12-31(13-17-33)10-11-32-14-18-34(19-15-32)21-23-36-5-2-7-38(29-36)25-27-40-9-3-8-39(30-40)26-24-37(6-1)28-35/h1-9,12-19,28-30H,10-11,20-27H2 |
| InChIKey | AKAORRBWRUWSLX-UHFFFAOYSA-N |
| Mol Weight | 520.8 g/mol |
| Molecular Formula | C40H40 |
| Exact Mass | 520.313001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0NzNNeWhMW |
|---|---|
| Name | Hexacyclo[28.3.1.2(11,14).2(17,20).1(4,8).1(23,27)]nonatriconta[1(33),4,6,8(39),11,13,17,19,23,25,27(34),30,32,35,37]pentadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H40 |
| InChI | InChI=1S/C40H40/c1-4-35-22-20-33-16-12-31(13-17-33)10-11-32-14-18-34(19-15-32)21-23-36-5-2-7-38(29-36)25-27-40-9-3-8-39(30-40)26-24-37(6-1)28-35/h1-9,12-19,28-30H,10-11,20-27H2 |
| InChIKey | AKAORRBWRUWSLX-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_1521-3897(200009)342_7_642 |
| Molecular Weight | 520.760 g/mol |
| SMILES | c1ccc2cc1CCc1cccc(CCc3ccc(cc3)CCc3ccc(CCc4cccc(CC2)c4)cc3)c1 |
| SPLASH | splash10-00di-0311190000-162be2a16f49a6db30dd |
| Source of Spectrum | JF-342-652-5 |
| Wiley ID | 1767062 |