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Methyl (1R*,2S*,4R*)-5-Bromo-8,8-dimethoxy-6-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
SpectraBase Compound ID ELjRBMxEy33
InChI InChI=1S/C13H17BrO5/c1-6-9-7(12(16)17-2)5-8(10(6)14)13(18-3,19-4)11(9)15/h7-9H,5H2,1-4H3/t7-,8-,9-/m0/s1
InChIKey VFIHQQBJCMMFRW-CIUDSAMLSA-N
Mol Weight 333.18 g/mol
Molecular Formula C13H17BrO5
Exact Mass 332.025937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jp3vjgtWuDB
Name Methyl (1R*,2S*,4R*)-5-Bromo-8,8-dimethoxy-6-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO5
InChI InChI=1S/C13H17BrO5/c1-6-9-7(12(16)17-2)5-8(10(6)14)13(18-3,19-4)11(9)15/h7-9H,5H2,1-4H3/t7-,8-,9-/m0/s1
InChIKey VFIHQQBJCMMFRW-CIUDSAMLSA-N
Molecular Weight 333.178 g/mol
SMILES [C@]12(C(C(=O)[C@@]([C@](C2)(C(=O)OC)[H])([H])C(=C1Br)C)(OC)OC)[H]
SPLASH splash10-0pb9-1039000000-8fce2e1150f3e097a26c
Source of Spectrum J-67-6500-27
Synonyms Methyl (1R,2S,4R)-5-bromo-8,8-dimethoxy-6-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1570845