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4,5,11,12-tetrabromo[2.2](2,5)thiophenophane
SpectraBase Compound ID Vk0VJOSnVU
InChI InChI=1S/C12H8Br4S2/c13-9-5-1-2-6-10(14)12(16)8(18-6)4-3-7(17-5)11(9)15/h1-4H2
InChIKey UALYDZDFCURWDJ-UHFFFAOYSA-N
Mol Weight 535.93 g/mol
Molecular Formula C12H8Br4S2
Exact Mass 531.680095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30UNdtnKSGb
Name 4,5,11,12-tetrabromo[2.2](2,5)thiophenophane
Alternate Name(s) 5,6,11,12-tetrabromo-13,14-dithiatricyclo[8.2.1.1(4,7)]tetradeca-1(12),4,6,10-tetraene
CAS Registry Number 132564-51-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H8Br4S2
InChI InChI=1S/C12H8Br4S2/c13-9-5-1-2-6-10(14)12(16)8(18-6)4-3-7(17-5)11(9)15/h1-4H2
InChIKey UALYDZDFCURWDJ-UHFFFAOYSA-N
Molecular Weight 535.932 g/mol
SMILES c1(c(c2CCc3sc(c(c3Br)Br)CCc1s2)Br)Br
SPLASH splash10-014i-0090070000-d406f579289a3190858d
Source of Spectrum K-124-1407-13
Wiley ID 1403509