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DIMETHYL-2-(2'-BROMOALLYL)-2-[3''-(1'''-CYCLOHEXENYL)-2''-PROPYNYL]-MALONATE
SpectraBase Compound ID AjcHfrQT0rr
InChI InChI=1S/C17H21BrO4/c1-13(18)12-17(15(19)21-2,16(20)22-3)11-7-10-14-8-5-4-6-9-14/h8H,1,4-6,9,11-12H2,2-3H3
InChIKey KBHRIRRIJSNQRI-UHFFFAOYSA-N
Mol Weight 369.26 g/mol
Molecular Formula C17H21BrO4
Exact Mass 368.062322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmBWZgyGf7X
Name DIMETHYL-2-(2'-BROMOALLYL)-2-[3''-(1'''-CYCLOHEXENYL)-2''-PROPYNYL]-MALONATE
Compound Number 28B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21BrO4
InChI InChI=1S/C17H21BrO4/c1-13(18)12-17(15(19)21-2,16(20)22-3)11-7-10-14-8-5-4-6-9-14/h8H,1,4-6,9,11-12H2,2-3H3
InChIKey KBHRIRRIJSNQRI-UHFFFAOYSA-N
Literature Reference Author M.SCHELPER,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,582(2005)
Literature Reference DOI 10.1002/ejoc.200400668
Molecular Weight 369.255 g/mol
Sample ID 38990
Solvent CDCl3