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1-(Hex-1-yn-1-yl)-2-(3-methylbut-2-enyl)benzene
SpectraBase Compound ID 9OyAR6I2c1g
InChI InChI=1S/C17H22/c1-4-5-6-7-10-16-11-8-9-12-17(16)14-13-15(2)3/h8-9,11-13H,4-6,14H2,1-3H3
InChIKey YPNDWKPJWZQSCY-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd7uibEcdf5
Name 1-(Hex-1-yn-1-yl)-2-(3-methylbut-2-enyl)benzene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-4-5-6-7-10-16-11-8-9-12-17(16)14-13-15(2)3/h8-9,11-13H,4-6,14H2,1-3H3
InChIKey YPNDWKPJWZQSCY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.263
Molecular Weight 226.363 g/mol
Reported Formula C17H22
SMILES C(C#Cc1c(cccc1)CC=C(C)C)CCC
SPLASH splash10-0a4l-0900000000-7ca0654f72fb341e0bab
Source of Spectrum BJO-9-SM8-1i
Thin-Layer Chromatography Rf = 0.28 (hexane)
Wiley ID 1853757