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(1S*,2S*,4R*)-5-Bromo-8,8-dimethoxy-1-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide

View entire compound with spectra: 1 MS (GC)

(1S*,2S*,4R*)-5-Bromo-8,8-dimethoxy-1-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
SpectraBase Compound ID Hm6w3h5zo9s
InChI InChI=1S/C12H14BrNO3/c1-11-5-9(13)8(4-7(11)6-14)12(16-2,17-3)10(11)15/h5,7-8H,4H2,1-3H3/t7-,8+,11-/m1/s1
InChIKey QFXFGHFGJZCLOZ-VHSKPIJISA-N
Mol Weight 300.15 g/mol
Molecular Formula C12H14BrNO3
Exact Mass 299.015706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KqS8yeYb2
Name (1S*,2S*,4R*)-5-Bromo-8,8-dimethoxy-1-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrNO3
InChI InChI=1S/C12H14BrNO3/c1-11-5-9(13)8(4-7(11)6-14)12(16-2,17-3)10(11)15/h5,7-8H,4H2,1-3H3/t7-,8+,11-/m1/s1
InChIKey QFXFGHFGJZCLOZ-VHSKPIJISA-N
Molecular Weight 300.152 g/mol
SMILES C1([C@@]2(C(Br)=C[C@@](C1=O)([C@@](C#N)(C2)[H])C)[H])(OC)OC
SPLASH splash10-00di-3590000000-670bd6724420e0a6e4de
Source of Spectrum F-59-4043-3h
Wiley ID 1678078