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(1S*,2R*,4R*)-5-Bromo-8,8-dimethoxy-6-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
SpectraBase Compound ID 9XeLUXB422q
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+/m0/s1
InChIKey QVMPDTRYGHSWCE-XHNCKOQMSA-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 2E30ekSFgZL
Name (1S*,2R*,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+/m0/s1
InChIKey QVMPDTRYGHSWCE-XHNCKOQMSA-N
Molecular Weight 300.152 g/mol
SMILES [C@]12(C(C(=O)[C@]([C@@](C2)(C#N)[H])([H])C(=C1Br)C)(OC)OC)[H]
SPLASH splash10-05bf-3390000000-0b0dd105608ff1fcb954
Source of Spectrum F-59-4045-4g
Wiley ID 1678071