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(2-(2-Methyl-3-(phenylethynyl) cyclobut-2-en-1-yl)ethyl)benzene
SpectraBase Compound ID K0HVe9tBMpT
InChI InChI=1S/C21H20/c1-17-20(14-12-18-8-4-2-5-9-18)16-21(17)15-13-19-10-6-3-7-11-19/h2-11,20H,12,14,16H2,1H3
InChIKey WSIDWIPDFRBDRJ-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C21H20
Exact Mass 272.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ykv2HXq8TY
Name (2-(2-Methyl-3-(phenylethynyl) cyclobut-2-en-1-yl)ethyl)benzene
Appearance Colorless oil
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Formula C21H20
InChI InChI=1S/C21H20/c1-17-20(14-12-18-8-4-2-5-9-18)16-21(17)15-13-19-10-6-3-7-11-19/h2-11,20H,12,14,16H2,1H3
InChIKey WSIDWIPDFRBDRJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 272.391 g/mol
Quality 182
Reported Formula C21H20
SMILES CC=1C(CC1C#CC1=CC=CC=C1)CCC1=CC=CC=C1
SPLASH splash10-004l-8920000000-735c0cfd56e014d32994
Source of Spectrum QE-23-SM46-23a (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.33 (hexane, UV, KMnO4)
Wiley ID 1903905