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3-(BROMOPHENYL)-(5R)-(PARA-METHYLPHENYL)-(6T)-CARBETHOXYCYCLOHEX-2-ENONE
SpectraBase Compound ID DJVUSeoZ2El
InChI InChI=1S/C22H21BrO3/c1-3-26-22(25)21-19(16-6-4-14(2)5-7-16)12-17(13-20(21)24)15-8-10-18(23)11-9-15/h4-11,13,19,21H,3,12H2,1-2H3/t19-,21-/m1/s1
InChIKey PQDBXSHPRFQDBY-TZIWHRDSSA-N
Mol Weight 413.31 g/mol
Molecular Formula C22H21BrO3
Exact Mass 412.067408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IawGHb1P7IU
Name 3-(BROMOPHENYL)-(5R)-(PARA-METHYLPHENYL)-(6T)-CARBETHOXYCYCLOHEX-2-ENONE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21BrO3
InChI InChI=1S/C22H21BrO3/c1-3-26-22(25)21-19(16-6-4-14(2)5-7-16)12-17(13-20(21)24)15-8-10-18(23)11-9-15/h4-11,13,19,21H,3,12H2,1-2H3/t19-,21-/m1/s1
InChIKey PQDBXSHPRFQDBY-TZIWHRDSSA-N
Literature Reference Author C.YUVARAJ,K.PANDIARAJAN
Literature Reference Citation MAGN.RES.CHEM.,49,253(2011)
Literature Reference DOI 10.1002/mrc.2724
Molecular Weight 413.311 g/mol
Solvent CDCl3
Source File Reference UWBT12876