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3-(Pent-1-yn-1-yl)-1,1'-biphenyl
SpectraBase Compound ID CO3DIjAOExT
InChI InChI=1S/C17H16/c1-2-3-5-9-15-10-8-13-17(14-15)16-11-6-4-7-12-16/h4,6-8,10-14H,2-3H2,1H3
InChIKey HLRISGBXRQKKLH-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C17H16
Exact Mass 220.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHmqnplNA4p
Name 3-(Pent-1-yn-1-yl)-1,1'-biphenyl
Appearance Slightly yellow oil
Carrier Gas Helium
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Exact Mass 220.125200515 u
Formula C17H16
GC Column HP-5MS
GC Oven Program Oven temp 290oC
InChI InChI=1S/C17H16/c1-2-3-5-9-15-10-8-13-17(14-15)16-11-6-4-7-12-16/h4,6-8,10-14H,2-3H2,1H3
InChIKey HLRISGBXRQKKLH-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-Agilent 5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603297
Molecular Weight 220.315 g/mol
Quality 479
SMILES C(#CCCC)C=1C=C(C=CC1)C1=CC=CC=C1
SPLASH splash10-00dl-1980000000-ca3b67c57d307d250325
Source of Spectrum QE-23-SM22-7c (DOI: 10.1002/chem.201603297)
Wiley ID 1907809