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1-(2,3-Dimethylbut-1-en-1-yl)-2-(3-phenylprop-1-yn-1-yl)benzene
SpectraBase Compound ID 5ROeVi1CUwX
InChI InChI=1S/C21H22/c1-17(2)18(3)16-21-14-8-7-13-20(21)15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,16-17H,12H2,1-3H3
InChIKey IYPRCXVVAGREDF-UHFFFAOYSA-N
Mol Weight 274.41 g/mol
Molecular Formula C21H22
Exact Mass 274.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3reE9WD2erF
Name 1-(2,3-Dimethylbut-1-en-1-yl)-2-(3-phenylprop-1-yn-1-yl)benzene
Appearance Colorless oil
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Exact Mass 274.172150708 u
Formula C21H22
GC Column HP-5MS
InChI InChI=1S/C21H22/c1-17(2)18(3)16-21-14-8-7-13-20(21)15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,16-17H,12H2,1-3H3
InChIKey IYPRCXVVAGREDF-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405789
Molecular Weight 274.407 g/mol
SMILES C1=CC=CC(=C1C=C(C(C)C)C)C#CCC1=CC=CC=C1
SPLASH splash10-0159-0090000000-42ccadf6cbf67aba6349
Sample Comments Major isomer, dr = ~4:1
Source of Spectrum QE-21-SM11-6i (DOI: 10.1002/chem.201405789)
Thin-Layer Chromatography 0.34 (hexane)
Wiley ID 1907722