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1-bromo-7-(bromomethyl)-2,6-adamantanediol, dimethanesulfonate
SpectraBase Compound ID 6dp7NYx6ylM
InChI InChI=1S/C13H20Br2O6S2/c1-22(16,17)20-10-9-3-8-4-12(10,7-14)6-13(15,5-9)11(8)21-23(2,18)19/h8-11H,3-7H2,1-2H3/t8-,9-,10?,11?,12+,13-/m1/s1
InChIKey ZXYLUZAIVBAQKU-GDRXYTPYSA-N
Mol Weight 496.23 g/mol
Molecular Formula C13H20Br2O6S2
Exact Mass 493.906807 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9x3VY7wVeTQ
Name 1-bromo-7-(bromomethyl)-2,6-adamantanediol, dimethanesulfonate
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Formula C13H20Br2O6S2
InChI InChI=1S/C13H20Br2O6S2/c1-22(16,17)20-10-9-3-8-4-12(10,7-14)6-13(15,5-9)11(8)21-23(2,18)19/h8-11H,3-7H2,1-2H3/t8-,9-,10?,11?,12+,13-/m1/s1
InChIKey ZXYLUZAIVBAQKU-GDRXYTPYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 49612M
Solvent CDCl3