phenanthrenophane](/api/spectrum/EpUDJFd5x6A/structure.png?h=300&w=458 "endo,endo-1,2-Ethano-syn-[2.2](3,6)phenanthrenophane")
| SpectraBase Compound ID | 9lz18BlBFxP |
|---|---|
| InChI | InChI=1S/C36H28/c1-2-22-6-10-26-18-34(22)33-17-25(9-5-21(1)33)29-13-14-31(29)27-11-7-23-3-4-24-8-12-28(32-16-15-30(26)32)20-36(24)35(23)19-27/h1-12,17-20,29-32H,13-16H2 |
| InChIKey | YTRPOGGMZAFWHR-UHFFFAOYSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C36H28 |
| Exact Mass | 460.219101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EpUDJFd5x6A |
|---|---|
| Name | endo,endo-1,2-Ethano-syn-[2.2](3,6)phenanthrenophane |
| Alternate Name(s) | exo,endo-1,2-Ethano-syn-[2.2](3,6)phenanthrenophane exo,exo-1,2-Ethano-syn-[2.2](3,6)phenanthrenophane nonacyclo[18.8.4.4(6,15).0(2,5).0(9,35).0(12,34).0(16,19).0(23,31).0(26,30)]hexatriaconta-1(28),6,8,10,12,14,20,22,24,26,29,31,33,35-tetradecaene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H28 |
| InChI | InChI=1S/C36H28/c1-2-22-6-10-26-18-34(22)33-17-25(9-5-21(1)33)29-13-14-31(29)27-11-7-23-3-4-24-8-12-28(32-16-15-30(26)32)20-36(24)35(23)19-27/h1-12,17-20,29-32H,13-16H2 |
| InChIKey | YTRPOGGMZAFWHR-UHFFFAOYSA-N |
| Molecular Weight | 460.620 g/mol |
| SMILES | c12c3cc4C5C(c6cc7c8cc(C9C(c(c2)ccc1ccc3cc4)CC9)ccc8ccc7cc6)CC5 |
| SPLASH | splash10-001i-0090000000-6c5fd81da2e13d0e381c |
| Source of Spectrum | C-118-1012-1 |
| Wiley ID | 759466 |