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(1S,4R)-Hexachlorocyclopentenyl-dibromocycloocatane
SpectraBase Compound ID 76dtMqHVmuF
InChI InChI=1S/C13H12Br2Cl6/c14-7-3-1-5-6(2-4-8(7)15)12(19)10(17)9(16)11(5,18)13(12,20)21/h5-8H,1-4H2/t5?,6?,7?,8?,11-,12+
InChIKey XRFONNJUMOCNHA-RNNAZVOLSA-N
Mol Weight 540.8 g/mol
Molecular Formula C13H12Br2Cl6
Exact Mass 535.743693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LGhwlEYYy
Name (1S,4R)-Hexachlorocyclopentenyl-dibromocycloocatane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12Br2Cl6
InChI InChI=1S/C13H12Br2Cl6/c14-7-3-1-5-6(2-4-8(7)15)12(19)10(17)9(16)11(5,18)13(12,20)21/h5-8H,1-4H2/t5?,6?,7?,8?,11-,12+
InChIKey XRFONNJUMOCNHA-RNNAZVOLSA-N
Molecular Weight 540.765 g/mol
SMILES C12CCC(C(CCC2[C@]2(C(=C([C@]1(Cl)C2(Cl)Cl)Cl)Cl)Cl)Br)Br
SPLASH splash10-00y0-0092000000-15e7b76f20457893e624
Source of Spectrum RCM-27-1445-HCDBCO
Synonyms (1R,4S)-7,8-dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzo[8]annulene
Wiley ID 1820692