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4,4-Dimethyl-1-phenylpent-2-yn-1-one
SpectraBase Compound ID FjvBHQ8q4mR
InChI InChI=1S/C13H14O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey JKMPVFBNTHUBPK-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9amzg0TV4Qh
Name 4,4-dimethyl-1-phenylpent-2-yn-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.104465070 u
Formula C13H14O
InChI InChI=1S/C13H14O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey JKMPVFBNTHUBPK-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504255
Molecular Weight 186.254 g/mol
Quality 136
SMILES C(C#CC(=O)C1=CC=CC=C1)(C)(C)C
SPLASH splash10-0a6r-1900000000-d40eb5ac9c88875b60c8
Source of Spectrum QE-21-SM10-21 (DOI: 10.1002/chem.201504255)
Wiley ID 1907510