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(1S,3R,4A-R)-4-(2-BROMOVINYLIDENE)-3-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE

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(1S,3R,4A-R)-4-(2-BROMOVINYLIDENE)-3-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE
SpectraBase Compound ID 6rzQMcGJXEL
InChI InChI=1S/C13H19BrO3/c1-9(15)17-10-7-12(2,3)11(5-6-14)13(4,16)8-10/h6,10,16H,7-8H2,1-4H3/t5?,10-,13+/m0/s1
InChIKey SDJQHERLEHZNRO-BRFFUQENSA-N
Mol Weight 303.2 g/mol
Molecular Formula C13H19BrO3
Exact Mass 302.051757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmP8E0QyFQC
Name (1S,3R,4A-R)-4-(2-BROMOVINYLIDENE)-3-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE
Compound Number 7A-(1S,3R,4A- R)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19BrO3
InChI InChI=1S/C13H19BrO3/c1-9(15)17-10-7-12(2,3)11(5-6-14)13(4,16)8-10/h6,10,16H,7-8H2,1-4H3/t5?,10-,13+/m0/s1
InChIKey SDJQHERLEHZNRO-BRFFUQENSA-N
Literature Reference Author B.VAZ,R.ALVAREZ,R.BRUECKNER,A.R.D.LERA
Literature Reference Citation ORG.LETTERS,7,545(2005)
Literature Reference DOI 10.1021/ol0478281
Molecular Weight 303.196 g/mol
Sample ID 42118
Solvent CDCl3