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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 LQKpt0no76W
Name 1-(4-(phenylethynyl)phenyl)ethan-1-one
Appearance Yellow 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 Hewlett-Packard HP 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202101052
Molecular Weight 220.271 g/mol
SMILES c1(ccccc1)C#Cc1ccc(cc1)C(C)=O
SPLASH splash10-0adi-0590000000-b5e6b65c4989a8a15ca0
Source of Spectrum CSC-14-SM17-3ea
Wiley ID 1865390