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1-(4-Methylphenyl)-3-phenylprop-2-yn-1-one
SpectraBase Compound ID LcHPWBDd8K4
InChI InChI=1S/C16H12O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey HZTQMHOPSAEKFO-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 7flMdzZsLQh
Name 1-(4-Methylphenyl)-3-phenylprop-2-yn-1-one
Alternate Name(s) Phenylethynyl p-tolyl ketone 1-(4-Methylphenyl)-3-phenyl-2-propyn-1-one 3-Phenyl-1-(p-tolyl)prop-2-yn-1-one 3-Phenyl-1-p-tolylprop-2-yn-1-one 1-(4-Methylphenyl)-3-phenyl-prop-2-yn-1-one
CAS Registry Number 20442-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O
InChI InChI=1S/C16H12O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey HZTQMHOPSAEKFO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102993y
Molecular Weight 220.271 g/mol
SMILES C(#Cc1ccccc1)C(=O)c1ccc(cc1)C
SPLASH splash10-006x-0940000000-b79911d3440635642384
Source of Spectrum A1-13-944/SMS4-3da
Wiley ID 1752750