| SpectraBase Spectrum ID |
8AHDCt3jkW5 |
| Name |
(1.alpha.,2.alpha.,2a.beta.,2b.beta.,3.beta.,4.beta.,5a.beta.,6.alpha.,6a.beta.)-3-brom0-2b,3,4,5,5,5a-hexachlorodecahydro-1-trichlormethyl-2,4,6-methenocyclobuta[a]pentalene |
| CAS Registry Number |
115419-79-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H6BrCl9 |
| InChI |
InChI=1S/C12H6BrCl9/c13-11(20)7(14)3-1-4(10(17,18)19)2(3)6-5(1)8(7,15)12(21,22)9(6,11)16/h1-6H/t1-,2+,3+,4-,5+,6?,7+,8-,9-,11+/m0/s1 |
| InChIKey |
YQOMZKCDGAPDMT-HSUWWDGASA-N |
| Molecular Weight |
549.161 g/mol |
| SMILES |
[C@]12([C@@]3(C(Cl)(Cl)[C@]([C@@]2(Cl)Br)(Cl)C2[C@@]4([C@]1([C@]([C@@]4(C(Cl)(Cl)Cl)[H])([H])[C@@]32[H])[H])[H])Cl)Cl |
| SPLASH |
splash10-0002-0090000000-db440b469c3f6634557c |
| Source of Spectrum |
K-121-1673-21 |
| Synonyms |
(1S,2R,4S,5S,6S,7R,8R,9S,10R)-9-bromo-1,8,9,10,11,11-hexachloro-5-(trichloromethyl)pentacyclo[6.3.0.0(2,6).0(3,10).0(4,7)]undecane |
| Wiley ID |
1404973 |
![(1.alpha.,2.alpha.,2a.beta.,2b.beta.,3.beta.,4.beta.,5a.beta.,6.alpha.,6a.beta.)-3-brom0-2b,3,4,5,5,5a-hexachlorodecahydro-1-trichlormethyl-2,4,6-methenocyclobuta[a]pentalene](/api/spectrum/8AHDCt3jkW5/structure.png?h=300&w=458 "(1.alpha.,2.alpha.,2a.beta.,2b.beta.,3.beta.,4.beta.,5a.beta.,6.alpha.,6a.beta.)-3-brom0-2b,3,4,5,5,5a-hexachlorodecahydro-1-trichlormethyl-2,4,6-methenocyclobuta[a]pentalene")
