![1,23:8,10:11,13:20,22-Tetraethenocyclohexadeca[1,2,3,4-def:9,10,11,12 -d'e'f']diphenanthrene](/api/spectrum/5m4bePXEvfL/structure.png?h=300&w=458 "1,23:8,10:11,13:20,22-Tetraethenocyclohexadeca[1,2,3,4-def:9,10,11,12 -d'e'f']diphenanthrene")
| SpectraBase Compound ID | GIZz4INlK1b |
|---|---|
| InChI | InChI=1S/C44H24/c1-9-29-13-14-30-10-2-26-7-19-35-23-38(26)42(30)41(29)37-21-33(17-5-25(1)37)34-18-6-27-3-11-31-15-16-32-12-4-28-8-20-36(35)24-40(28)44(32)43(31)39(27)22-34/h1-24H/b34-33-,36-35- |
| InChIKey | CCYQPTAYJXZNLC-GLTNCGNLSA-N |
| Mol Weight | 552.7 g/mol |
| Molecular Formula | C44H24 |
| Exact Mass | 552.187801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5m4bePXEvfL |
|---|---|
| Name | 1,23:8,10:11,13:20,22-Tetraethenocyclohexadeca[1,2,3,4-def:9,10,11,12 -d'e'f']diphenanthrene |
| Alternate Name(s) | Propellicene undecacyclo[16.14.6.6(2,17).0(5,43).0(8,42).0(11,41).0(14,40).0(21,37).0(24,36).0(27,35).0(30,34)]tetratetraconta-1(32),2,4,5,7,8,10,11,13,14,16,18,20,21,23,24,26,27,29,30,33,34,35,36,37,39,40,41,42,43-triacontaene |
| CAS Registry Number | 61670-61-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H24 |
| InChI | InChI=1S/C44H24/c1-9-29-13-14-30-10-2-26-7-19-35-23-38(26)42(30)41(29)37-21-33(17-5-25(1)37)34-18-6-27-3-11-31-15-16-32-12-4-28-8-20-36(35)24-40(28)44(32)43(31)39(27)22-34/h1-24H/b34-33-,36-35- |
| InChIKey | CCYQPTAYJXZNLC-GLTNCGNLSA-N |
| Molecular Weight | 552.676 g/mol |
| SMILES | c12c3c4cc5-c6cc7c8c9c%10cc(-c%11cc2c(cc%11)ccc1ccc3ccc4cc5)ccc%10ccc9ccc8ccc7cc6 |
| SPLASH | splash10-0udi-0140090000-8fb7c360740575f9de13 |
| Source of Spectrum | SB-30-689-0 |
| Wiley ID | 1406046 |