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3-(4-Methylphenyl)-1-phenylprop-2-yn-1-one

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

3-(4-Methylphenyl)-1-phenylprop-2-yn-1-one
SpectraBase Compound ID ILIKU1KourG
InChI InChI=1S/C16H12O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-10H,1H3
InChIKey ODMJODNPAIICIH-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C16H12O
Exact Mass 220.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1J3iLkkr4ae
Name 1-phenyl-3-(p-tolyl)prop-2-yn-1-one
Appearance Light yellow colored solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.088815005 u
Formula C16H12O
GC Oven Program Oven temp 290 oC or 320 oC
InChI InChI=1S/C16H12O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-10H,1H3
InChIKey ODMJODNPAIICIH-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL/5975 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708037
Molecular Weight 220.271 g/mol
Quality 265
SMILES C1=CC(=CC=C1)C(=O)C#CC1=CC=C(C=C1)C
SPLASH splash10-0006-1920000000-4ee744e24ef2f71da6bb
Source of Spectrum ACI-56-SM16-22 (DOI: 10.1002/anie.201708037)
Wiley ID 1896509