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1-(Cyclopropylethynyl)-2-(3-methylbut-2-enyl)benzene
SpectraBase Compound ID BEWTA7K50he
InChI InChI=1S/C16H18/c1-13(2)7-11-15-5-3-4-6-16(15)12-10-14-8-9-14/h3-7,14H,8-9,11H2,1-2H3
InChIKey AUYIOUXTOYCTMH-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C16H18
Exact Mass 210.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUHDaEeQAMN
Name 1-(Cyclopropylethynyl)-2-(3-methylbut-2-enyl)benzene
Appearance Colourless oil
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Formula C16H18
InChI InChI=1S/C16H18/c1-13(2)7-11-15-5-3-4-6-16(15)12-10-14-8-9-14/h3-7,14H,8-9,11H2,1-2H3
InChIKey AUYIOUXTOYCTMH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.263
Molecular Weight 210.320 g/mol
Reported Formula C16H18
SMILES C1(C#Cc2c(cccc2)CC=C(C)C)CC1
SPLASH splash10-014j-0900000000-86e50686820ed0fab5f7
Source of Spectrum BJO-9-SM8-1h
Thin-Layer Chromatography Rf = 0.30 (hexane)
Wiley ID 1853756