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1-(3-methylphenyl)-3-phenylprop-2-yn-1-one
SpectraBase Compound ID 6pdWaXD3gEc
InChI InChI=1S/C16H12O/c1-13-6-5-9-15(12-13)16(17)11-10-14-7-3-2-4-8-14/h2-9,12H,1H3
InChIKey UIRBYIHSKCOUIQ-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 3AtuMV4CYmM
Name 1-(3-methylphenyl)-3-phenylprop-2-yn-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.088815005 u
Formula C16H12O
InChI InChI=1S/C16H12O/c1-13-6-5-9-15(12-13)16(17)11-10-14-7-3-2-4-8-14/h2-9,12H,1H3
InChIKey UIRBYIHSKCOUIQ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504255
Molecular Weight 220.271 g/mol
Quality 338
SMILES CC=1C=C(C=CC1)C(C#CC1=CC=CC=C1)=O
SPLASH splash10-0096-0930000000-75b48e7dbe765413bfc6
Source of Spectrum QE-21-SM3-5 (DOI: 10.1002/chem.201504255)
Wiley ID 1907514