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3-(BROMOPHENYL)-(5R)-PHENYL-(6T)-CARBETHOXYCYCLOHEX-2-ENONE
SpectraBase Compound ID FTVNqPSoOVK
InChI InChI=1S/C21H19BrO3/c1-2-25-21(24)20-18(15-6-4-3-5-7-15)12-16(13-19(20)23)14-8-10-17(22)11-9-14/h3-11,13,18,20H,2,12H2,1H3/t18-,20-/m1/s1
InChIKey UKFQYKGFUXLGPQ-UYAOXDASSA-N
Mol Weight 399.28 g/mol
Molecular Formula C21H19BrO3
Exact Mass 398.051757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5m4SMEUaiM
Name 3-(BROMOPHENYL)-(5R)-PHENYL-(6T)-CARBETHOXYCYCLOHEX-2-ENONE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrO3
InChI InChI=1S/C21H19BrO3/c1-2-25-21(24)20-18(15-6-4-3-5-7-15)12-16(13-19(20)23)14-8-10-17(22)11-9-14/h3-11,13,18,20H,2,12H2,1H3/t18-,20-/m1/s1
InChIKey UKFQYKGFUXLGPQ-UYAOXDASSA-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 399.284 g/mol
Solvent CDCl3
Source File Reference UWBT12875