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(1S*,2S*,4R*)-5-Bromo-8,8-dimethoxy-6-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
SpectraBase Compound ID LjmBKvlxMUU
InChI InChI=1S/C12H14BrNO3/c1-6-9-7(5-14)4-8(10(6)13)12(16-2,17-3)11(9)15/h7-9H,4H2,1-3H3/t7-,8+,9-/m1/s1
InChIKey QVMPDTRYGHSWCE-HRDYMLBCSA-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 2RdZjUjPnnN
Name (1S*,2S*,4R*)-5-Bromo-8,8-dimethoxy-6-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/c1-6-9-7(5-14)4-8(10(6)13)12(16-2,17-3)11(9)15/h7-9H,4H2,1-3H3/t7-,8+,9-/m1/s1
InChIKey QVMPDTRYGHSWCE-HRDYMLBCSA-N
Molecular Weight 300.152 g/mol
SMILES [C@]12(C(C(=O)[C@@]([C@](C2)(C#N)[H])(C(=C1Br)C)[H])(OC)OC)[H]
SPLASH splash10-00di-0290000000-f61b53d444da9b1985ea
Source of Spectrum F-59-4043-3g
Wiley ID 1678079