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6-(4-Bromo-phenyl)-3-ethyl-4-oxo-3-phenyl-hex-5-enoic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

6-(4-Bromo-phenyl)-3-ethyl-4-oxo-3-phenyl-hex-5-enoic acid ethyl ester
SpectraBase Compound ID 86UNl86GLj
InChI InChI=1S/C22H23BrO3/c1-3-22(16-21(25)26-4-2,18-8-6-5-7-9-18)20(24)15-12-17-10-13-19(23)14-11-17/h5-15H,3-4,16H2,1-2H3/b15-12+
InChIKey JFUKNMRLBFDUGK-NTCAYCPXSA-N
Mol Weight 415.33 g/mol
Molecular Formula C22H23BrO3
Exact Mass 414.083058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fDqH9MmxCn
Name 6-(4-Bromo-phenyl)-3-ethyl-4-oxo-3-phenyl-hex-5-enoic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.083057598 u
Formula C22H23BrO3
InChI InChI=1S/C22H23BrO3/c1-3-22(16-21(25)26-4-2,18-8-6-5-7-9-18)20(24)15-12-17-10-13-19(23)14-11-17/h5-15H,3-4,16H2,1-2H3/b15-12+
InChIKey JFUKNMRLBFDUGK-NTCAYCPXSA-N
Molecular Weight 415.327 g/mol
SMILES C(C(\C=C\C1=CC=C(C=C1)Br)=O)(CC(=O)OCC)(C1=CC=CC=C1)CC