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ethyl (E)-4-(5-methyl-1-oxo-1-phenylhex-2-en-2-yl)benzoate
SpectraBase Compound ID 7NnS4E3K8P3
InChI InChI=1S/C22H24O3/c1-4-25-22(24)19-13-11-17(12-14-19)20(15-10-16(2)3)21(23)18-8-6-5-7-9-18/h5-9,11-16H,4,10H2,1-3H3/b20-15+
InChIKey UHAUXTFCXVGINJ-HMMYKYKNSA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11U4a1PuXGC
Name ethyl (E)-4-(5-methyl-1-oxo-1-phenylhex-2-en-2-yl)benzoate
Appearance Yellow oil
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Exact Mass 336.172544630 u
Formula C22H24O3
GC Column HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
GC Oven Program Oven temp 290oC or 320oC
InChI InChI=1S/C22H24O3/c1-4-25-22(24)19-13-11-17(12-14-19)20(15-10-16(2)3)21(23)18-8-6-5-7-9-18/h5-9,11-16H,4,10H2,1-3H3/b20-15+
InChIKey UHAUXTFCXVGINJ-HMMYKYKNSA-N
Instrument Name Agilent Technologies 7890A-Agilent 5975C VL MSD or Agilent 5975 inert
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600710
Molecular Weight 336.431 g/mol
Quality 148
Reported Formula C22H24O3
SMILES C(C)OC(C1=CC=C(C=C1)\C(C(C1=CC=CC=C1)=O)=C/CC(C)C)=O
SPLASH splash10-0a4i-2933000000-1cd3754a0b72bb1f16b5
Source of Spectrum QE-22-SM20-3ag (DOI: 10.1002/chem.201600710)
Thin-Layer Chromatography 0.48 (pentane/EtOAc, 5:1)
Wiley ID 1903163