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1-Ethynyl-2-oct-1-ynyl-benzene
SpectraBase Compound ID 76mZX2w4Or5
InChI InChI=1S/C16H18/c1-3-5-6-7-8-9-13-16-14-11-10-12-15(16)4-2/h2,10-12,14H,3,5-8H2,1H3
InChIKey DPIAHVUVDUTVSB-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 9OO7DpuYjcR
Name 1-ethynyl-2-(oct-1-yn-1-yl)benzene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.140850580 u
Formula C16H18
InChI InChI=1S/C16H18/c1-3-5-6-7-8-9-13-16-14-11-10-12-15(16)4-2/h2,10-12,14H,3,5-8H2,1H3
InChIKey DPIAHVUVDUTVSB-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 210.320 g/mol
Quality 287
Reported Formula C16H18
SMILES C(#C)C1=C(C=CC=C1)C#CCCCCCC
SPLASH splash10-014u-0910000000-d2fc6bbe5abe954a2e4b
Source of Spectrum QE-21-SM28-IIIz (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.86 (PE/EA, 5:1)
Wiley ID 1907138