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(3R,6S)-2-(4-BROMOBENZYLIDENE)-6-ISOPROPYL-3-METHYL-CYCLOHEXANONE
SpectraBase Compound ID CGIURv3AFYr
InChI InChI=1S/C17H21BrO/c1-11(2)15-9-4-12(3)16(17(15)19)10-13-5-7-14(18)8-6-13/h5-8,10-12,15H,4,9H2,1-3H3/b16-10+/t12-,15+/m1/s1
InChIKey XXWIKUUTIWHVPA-GJWHOYOLSA-N
Mol Weight 321.26 g/mol
Molecular Formula C17H21BrO
Exact Mass 320.077578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jIM4tXNyqO
Name (3R,6S)-2-(4-BROMOBENZYLIDENE)-6-ISOPROPYL-3-METHYL-CYCLOHEXANONE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21BrO
InChI InChI=1S/C17H21BrO/c1-11(2)15-9-4-12(3)16(17(15)19)10-13-5-7-14(18)8-6-13/h5-8,10-12,15H,4,9H2,1-3H3/b16-10+/t12-,15+/m1/s1
InChIKey XXWIKUUTIWHVPA-GJWHOYOLSA-N
Literature Reference Author M.AMONGERO,D.VISNOVEZKY,T.S.KAUFMAN
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1017(2010)
Literature Reference DOI 10.1590/s0103-50532010000600011
Molecular Weight 321.257 g/mol
Source File Reference UWBT5932