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4-(4-Methoxyphenyl)-4-oxo-2-phenylbutanal
SpectraBase Compound ID E6UUUGLlVPz
InChI InChI=1S/C17H16O3/c1-20-16-9-7-14(8-10-16)17(19)11-15(12-18)13-5-3-2-4-6-13/h2-10,12,15H,11H2,1H3
InChIKey LTQRGRVCSWGVMR-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QBZk55AaC6
Name 4-(4-Methoxyphenyl)-4-oxo-2-phenylbutanal
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.109944372 u
Formula C17H16O3
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/C17H16O3/c1-20-16-9-7-14(8-10-16)17(19)11-15(12-18)13-5-3-2-4-6-13/h2-10,12,15H,11H2,1H3
InChIKey LTQRGRVCSWGVMR-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-Agilent 5975C VL MSD or Agilent 5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703008
Molecular Weight 268.312 g/mol
Quality 100
SMILES COC1=CC=C(C=C1)C(CC(C=O)C1=CC=CC=C1)=O
SPLASH splash10-000i-3920000000-3ff3903bce5c90b03444
Source of Spectrum QE-23-SM28-28-2 (DOI: 10.1002/chem.201703008)
Thin-Layer Chromatography 0.14 (n-pentane/Et2O, 92:8)
Wiley ID 1905684