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4'-(Phenylethynyl)acetophenone
SpectraBase Compound ID 9KtBOk8zshd
InChI InChI=1S/C16H12O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,1H3
InChIKey QCYZMMVPXNWSJK-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 640OkVOwc6m
Name 1-[4-(Phenylethynyl)phenyl]ethan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O
InChI InChI=1S/C16H12O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,1H3
InChIKey QCYZMMVPXNWSJK-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201902380
Molecular Weight 220.271 g/mol
Reported Formula C16H12O
SMILES c1cc(ccc1C#Cc1ccccc1)C(=O)C
SPLASH splash10-0adi-0490000000-699d7c08c0c4587e3289
Source of Spectrum CCC-12-SM7-3ha
Wiley ID 1839855