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5-(Adamantan-1-yl)-5'-bromo-2,2'-dithiophene
SpectraBase Compound ID CWOsiF3TRtR
InChI InChI=1S/C18H19BrS2/c19-17-4-2-15(21-17)14-1-3-16(20-14)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2/t11-,12+,13-,18-
InChIKey VSROSVDXHPUAFD-MCXHQAMOSA-N
Mol Weight 379.37 g/mol
Molecular Formula C18H19BrS2
Exact Mass 378.011156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ax1vwKJ8a
Name 5-(Adamantan-1-yl)-5'-bromo-2,2'-dithiophene
Alternate Name(s) 5-((3r,5r,7r)-adamantan-1-yl)-5'-bromo-2,2'-bithiophene
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Formula C18H19BrS2
InChI InChI=1S/C18H19BrS2/c19-17-4-2-15(21-17)14-1-3-16(20-14)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2/t11-,12+,13-,18-
InChIKey VSROSVDXHPUAFD-MCXHQAMOSA-N
Molecular Weight 379.374 g/mol
SMILES C1[C@]2(CC3(c4sc(cc4)-c4sc(cc4)Br)C[C@@]1(C[C@](C3)(C2)[H])[H])[H]
SPLASH splash10-00ai-0019000000-bef893274cc973196a6d
Source of Spectrum AJO-4-767-3b
Wiley ID 1785157