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(E)-1-(5-Phenylpent-4-en-1-yn-1-yl)-4-propylbenzene
SpectraBase Compound ID I36QdFg1ayF
InChI InChI=1S/C20H20/c1-2-9-18-14-16-20(17-15-18)13-8-4-7-12-19-10-5-3-6-11-19/h3,5-7,10-12,14-17H,2,4,9H2,1H3/b12-7+
InChIKey QBYFRNMWFRNJKL-KPKJPENVSA-N
Mol Weight 260.38 g/mol
Molecular Formula C20H20
Exact Mass 260.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyeONfoCGRX
Name (E)-1-(5-Phenylpent-4-en-1-yn-1-yl)-4-propylbenzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20
InChI InChI=1S/C20H20/c1-2-9-18-14-16-20(17-15-18)13-8-4-7-12-19-10-5-3-6-11-19/h3,5-7,10-12,14-17H,2,4,9H2,1H3/b12-7+
InChIKey QBYFRNMWFRNJKL-KPKJPENVSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/anie.202015249
Molecular Weight 260.380 g/mol
SMILES c1(ccccc1)\C=C\CC#Cc1ccc(cc1)CCC
SPLASH splash10-0159-0090000000-8ba7ee8671ae1fe36e3a
Source of Spectrum ACI-60-SM26-4f
Thin-Layer Chromatography Rf = 0.51 (pentane/diethyl ether, 97:3)
Wiley ID 1880221