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4'-(Phenylethynyl)acetophenone

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 16 MS (GC)

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 IOoU5raMuD0
Name (4-Acetylpheny)phenylacetylene
CAS Registry Number 1942-31-0
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
Molecular Weight 220.271 g/mol
SMILES C(#Cc1ccc(cc1)C(=O)C)c1ccccc1
SPLASH splash10-0ab9-0390000000-0d98e786e80caf96b8bd
Source of Spectrum KC-57-8022-0
Synonyms 1-(4-Phenylethynylphenyl)ethanone 1-[4'-(2''-Phenylethynyl)phenyl]-ethanone 1-(4-(Phenylethynyl)phenyl)ethanone 1-[4-(2-Phenylethynyl)phenyl]ethanone 1-[4-(Phenylethynyl)phenyl]ethanone
Wiley ID 1625855