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ethyl 4-(1-oxo-1-phenylpentan-2-yl)benzoate
SpectraBase Compound ID LpWjmoIKtm4
InChI InChI=1S/C20H22O3/c1-3-8-18(19(21)16-9-6-5-7-10-16)15-11-13-17(14-12-15)20(22)23-4-2/h5-7,9-14,18H,3-4,8H2,1-2H3
InChIKey BGVFDONVPUFFNC-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwquZTeYZ5I
Name ethyl 4-(1-oxo-1-phenylpentan-2-yl)benzoate
Appearance Yellow oil
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Exact Mass 310.156894565 u
Formula C20H22O3
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/C20H22O3/c1-3-8-18(19(21)16-9-6-5-7-10-16)15-11-13-17(14-12-15)20(22)23-4-2/h5-7,9-14,18H,3-4,8H2,1-2H3
InChIKey BGVFDONVPUFFNC-UHFFFAOYSA-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 310.393 g/mol
Quality 36
Reported Formula C20H22O3
SMILES C(C)OC(C1=CC=C(C=C1)C(C(C1=CC=CC=C1)=O)CCC)=O
SPLASH splash10-0a4i-1900000000-3c3cee0723e9b9799025
Source of Spectrum QE-22-SM23-6cg (DOI: 10.1002/chem.201600710)
Thin-Layer Chromatography 0.45 (pentane/EtOAc, 5:1)
Wiley ID 1903176