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TETRABROMOCACOXANTHENE;(2S,4AS,9AS)-2,5,7-TRIBROMO-4A-BROMOMETHYL-1,1-DIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE
SpectraBase Compound ID 4DpriGpehbs
InChI InChI=1S/C16H18Br4O/c1-15(2)12-6-9-5-10(18)7-11(19)14(9)21-16(12,8-17)4-3-13(15)20/h5,7,12-13H,3-4,6,8H2,1-2H3/t12-,13?,16?/m0/s1
InChIKey RYAQDKGUGAVXHP-FUJMWEONSA-N
Mol Weight 545.94 g/mol
Molecular Formula C16H18Br4O
Exact Mass 541.809117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTeUzxHTip6
Name TETRABROMOCACOXANTHENE;(2S,4AS,9AS)-2,5,7-TRIBROMO-4A-BROMOMETHYL-1,1-DIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18Br4O
InChI InChI=1S/C16H18Br4O/c1-15(2)12-6-9-5-10(18)7-11(19)14(9)21-16(12,8-17)4-3-13(15)20/h5,7,12-13H,3-4,6,8H2,1-2H3/t12-,13?,16?/m0/s1
InChIKey RYAQDKGUGAVXHP-FUJMWEONSA-N
Literature Reference Author M.J.GARSON,D.C.MANKER,K.E.MAXWELL,B.W.SKELTON,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,42,611(1989)
Literature Reference DOI 10.1071/ch9890611
Molecular Weight 545.934 g/mol
Solvent CDCl3
Source File Reference UWRU6138