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2-AX-BROM-7,7-DIMETHYL-BICYCLO-[3.1.1]-HEPTAN-3-ON
SpectraBase Compound ID JpPf3BMsK8G
InChI InChI=1S/C9H13BrO/c1-9(2)5-3-6(9)8(10)7(11)4-5/h5-6,8H,3-4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKey QWTMFGPVFZNQIE-HAFWLYHUSA-N
Mol Weight 217.11 g/mol
Molecular Formula C9H13BrO
Exact Mass 216.014978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3I471xMh9gS
Name 2-AX-BROM-7,7-DIMETHYL-BICYCLO-[3.1.1]-HEPTAN-3-ON
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13BrO
InChI InChI=1S/C9H13BrO/c1-9(2)5-3-6(9)8(10)7(11)4-5/h5-6,8H,3-4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKey QWTMFGPVFZNQIE-HAFWLYHUSA-N
Literature Reference Author J.REISSE,C.PICCINNI-LEOPARDI,J.P.ZAHRA,B.WAEGELL,J.FOURNIER
Literature Reference Citation ORG.MAGN.RES.,9,512(1977)
Literature Reference DOI 10.1002/mrc.1270090905
Molecular Weight 217.106 g/mol
Solvent CDCl3
Source File Reference UNIW7689