For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(2-(phenylethynyl)phenyl)but-2-yn-1-one
SpectraBase Compound ID 5Vdvkv2Pw9I
InChI InChI=1S/C18H12O/c1-2-8-18(19)17-12-7-6-11-16(17)14-13-15-9-4-3-5-10-15/h3-7,9-12H,1H3
InChIKey PMZCXIZZMXMPOW-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C18H12O
Exact Mass 244.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3koB8aXpjEC
Name 1-(2-(phenylethynyl)phenyl)but-2-yn-1-one
Appearance Slightly yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.088815005 u
Formula C18H12O
InChI InChI=1S/C18H12O/c1-2-8-18(19)17-12-7-6-11-16(17)14-13-15-9-4-3-5-10-15/h3-7,9-12H,1H3
InChIKey PMZCXIZZMXMPOW-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 244.293 g/mol
Reported Formula C18H12O
SMILES C1(=CC=CC=C1)C#CC1=C(C=CC=C1)C(C#CC)=O
SPLASH splash10-014l-0090000000-cafb0a7b7603ffccccc4
Source of Spectrum QE-21-SM80-VIIa (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.35 (PE/EA, 5:1)
Wiley ID 1907168