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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 B4XTi20iaVE
Name 1-(4-(phenylethynyl)phenyl)ethanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.088815005 u
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 Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 220.271 g/mol
Quality 296
SMILES C1=CC(C#CC=2C=CC(=CC2)C(=O)C)=CC=C1
SPLASH splash10-0adi-0490000000-dfe0558fbf0fda9485fe
Source of Spectrum K1-2022-SM35-Table 3, entry 5 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898472