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(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromo-cyclododecane - Isomer 1

View entire compound with spectra: 1 MS (GC)

(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromo-cyclododecane - Isomer 1
SpectraBase Compound ID FnKc8Uu9EBD
InChI InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/m1/s1
InChIKey DEIGXXQKDWULML-MOCCIAMBSA-N
Mol Weight 641.7 g/mol
Molecular Formula C12H18Br6
Exact Mass 635.650879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqZ0btPMLU8
Name (1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromo-cyclododecane - Isomer 1
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Formula C12H18Br6
InChI InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/m1/s1
InChIKey DEIGXXQKDWULML-MOCCIAMBSA-N
Molecular Weight 641.700 g/mol
SMILES [C@]1([C@@](CC[C@]([C@](CC[C@@]([C@@](CC1)(Br)[H])(Br)[H])(Br)[H])(Br)[H])(Br)[H])(Br)[H]
SPLASH splash10-00mx-9100000000-ca1862c23c8cf6ed424b
Source of Spectrum F5-3-1890-HBCD-1
Synonyms 1,2,5,6,9,10-Hexabromocyclodecane - Isomer 1 (1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane (1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-hexakis(bromanyl)cyclododecane
Wiley ID 1732305