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3-Phenyl-1-o-tolylprop-2-yn-1-one
SpectraBase Compound ID I7RRePLF7nw
InChI InChI=1S/C16H12O/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-10H,1H3
InChIKey FFKLTSOPZKKMMA-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 88vArvt2ojQ
Name 3-Phenyl-1-o-tolylprop-2-yn-1-one
Alternate Name(s) 3-Phenyl-1-(o-tolyl)prop-2-yn-1-one 1-(2-Methylphenyl)-3-phenyl-2-propyn-1-one 1-(2-Methylphenyl)-3-phenylprop-2-yn-1-one 1-(2-Methylphenyl)-3-phenyl-prop-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O
InChI InChI=1S/C16H12O/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-10H,1H3
InChIKey FFKLTSOPZKKMMA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102993y
Molecular Weight 220.271 g/mol
SMILES C(#Cc1ccccc1)C(=O)c1c(cccc1)C
SPLASH splash10-006x-0950000000-069e1ae763927806c046
Source of Spectrum A1-13-944/SMS3-3ba
Wiley ID 1752749