![Perchloroundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane](/api/spectrum/7YIFHK6FRF3/structure.png?h=300&w=458 "Perchloroundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane")
| SpectraBase Compound ID | 22lgBdL32ql |
|---|---|
| InChI | InChI=1S/C20Cl20/c21-1-2(22)5(25)7(27)3(1,23)9(29)10(30)4(1,24)8(28)6(2,26)12(32)11(5,31)17(37)13(7,33)15(9,35)19(39)16(10,36)14(8,34)18(12,38)20(17,19)40/t1-,2+,3-,4+,5+,6-,7-,8+,9+,10-,11-,12+,13+,14-,15-,16+,17+,18-,19+,20- |
| InChIKey | FSTDCIXMBQNTFP-XXVPZYELSA-N |
| Mol Weight | 949.3 g/mol |
| Molecular Formula | C20Cl20 |
| Exact Mass | 939.377054 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7YIFHK6FRF3 |
|---|---|
| Name | Perchloroundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20Cl20 |
| InChI | InChI=1S/C20Cl20/c21-1-2(22)5(25)7(27)3(1,23)9(29)10(30)4(1,24)8(28)6(2,26)12(32)11(5,31)17(37)13(7,33)15(9,35)19(39)16(10,36)14(8,34)18(12,38)20(17,19)40/t1-,2+,3-,4+,5+,6-,7-,8+,9+,10-,11-,12+,13+,14-,15-,16+,17+,18-,19+,20- |
| InChIKey | FSTDCIXMBQNTFP-XXVPZYELSA-N |
| Molecular Weight | 949.280 g/mol |
| SMILES | [C@]12([C@]3([C@@]4([C@]5(Cl)[C@@]6([C@@]3(Cl)[C@@]3([C@]2([C@]2([C@@]7([C@]8(Cl)[C@@]9([C@]2([C@]1([C@]4([C@@]9([C@@]5(Cl)[C@@]8([C@]6([C@]37Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| SPLASH | splash10-07ov-3292000000-017bebac45c0f79b71c7 |
| Source of Spectrum | QE-12-6264-0 |
| Wiley ID | 1587195 |