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1-(Hept-1-ynyl)-2-(2-methylallyl)benzene
SpectraBase Compound ID LvE8EqBBELI
InChI InChI=1S/C17H22/c1-4-5-6-7-8-11-16-12-9-10-13-17(16)14-15(2)3/h9-10,12-13H,2,4-7,14H2,1,3H3
InChIKey CIMVUWFBTDSQBM-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 3Icp1LkXKa
Name 1-(Hept-1-ynyl)-2-(2-methylallyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-4-5-6-7-8-11-16-12-9-10-13-17(16)14-15(2)3/h9-10,12-13H,2,4-7,14H2,1,3H3
InChIKey CIMVUWFBTDSQBM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900643r
Molecular Weight 226.363 g/mol
SMILES c1cc(c(C#CCCCCC)cc1)CC(=C)C
SPLASH splash10-0aou-0900000000-622bd2a014c3f8133c67
Source of Spectrum A1-11-2309/SMS8-19
Synonyms 1-(hept-1-yn-1-yl)-2-(2-methylallyl)benzene
Wiley ID 1756792