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TRIBROMOCACOXANTHENE;(2S,4AS,9AS)-2,7-DIBROMO-4A-BROMOMETHYL-1,1-DIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE
SpectraBase Compound ID Hz7BSaBfPJp
InChI InChI=1S/C16H19Br3O/c1-15(2)13-8-10-7-11(18)3-4-12(10)20-16(13,9-17)6-5-14(15)19/h3-4,7,13-14H,5-6,8-9H2,1-2H3/t13-,14?,16?/m0/s1
InChIKey VHIWRGQDBRDIMI-HLIUYOAVSA-N
Mol Weight 467.04 g/mol
Molecular Formula C16H19Br3O
Exact Mass 463.898604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdNdR9BclUI
Name TRIBROMOCACOXANTHENE;(2S,4AS,9AS)-2,7-DIBROMO-4A-BROMOMETHYL-1,1-DIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19Br3O
InChI InChI=1S/C16H19Br3O/c1-15(2)13-8-10-7-11(18)3-4-12(10)20-16(13,9-17)6-5-14(15)19/h3-4,7,13-14H,5-6,8-9H2,1-2H3/t13-,14?,16?/m0/s1
InChIKey VHIWRGQDBRDIMI-HLIUYOAVSA-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 467.038 g/mol
Solvent CDCl3
Source File Reference UWRU6137