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(E)-1,8-Diphenyloct-2-en-7-yn-1-one
SpectraBase Compound ID 7nPVCIg17So
InChI InChI=1S/C20H18O/c21-20(19-15-9-5-10-16-19)17-11-3-1-2-6-12-18-13-7-4-8-14-18/h4-5,7-11,13-17H,1-3H2/b17-11+
InChIKey ZYBPNFQZRIGMKJ-GZTJUZNOSA-N
Mol Weight 274.36 g/mol
Molecular Formula C20H18O
Exact Mass 274.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAS6wBYho8S
Name (E)-1,8-Diphenyloct-2-en-7-yn-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.135765199 u
Formula C20H18O
InChI InChI=1S/C20H18O/c21-20(19-15-9-5-10-16-19)17-11-3-1-2-6-12-18-13-7-4-8-14-18/h4-5,7-11,13-17H,1-3H2/b17-11+
InChIKey ZYBPNFQZRIGMKJ-GZTJUZNOSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 274.363 g/mol
Quality 98
Reported Formula C20H18O
SMILES C(#CC1=CC=CC=C1)CCC\C=C\C(C1=CC=CC=C1)=O
SPLASH splash10-0002-0290000000-88e7d490793127410fc3
Source of Spectrum QE-29-SM17-12a (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.57 (17% EtOAc/hexane)
Wiley ID 1909431