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3'-[(2-Ethynylphenyl)ethynyl]-2-[(3-ethynylphenyl)ethynyl]-1,1'-biphenyl
SpectraBase Compound ID CHvN00XN1cM
InChI InChI=1S/C32H18/c1-3-25-11-9-12-26(23-25)20-22-30-16-7-8-18-32(30)31-17-10-13-27(24-31)19-21-29-15-6-5-14-28(29)4-2/h1-2,5-18,23-24H
InChIKey NOKDUHHWGRWPQV-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C32H18
Exact Mass 402.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVfjl56rC0R
Name 3'-[(2-Ethynylphenyl)ethynyl]-2-[(3-ethynylphenyl)ethynyl]-1,1'-biphenyl
Appearance Colorless oil
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Exact Mass 402.140850580 u
Formula C32H18
InChI InChI=1S/C32H18/c1-3-25-11-9-12-26(23-25)20-22-30-16-7-8-18-32(30)31-17-10-13-27(24-31)19-21-29-15-6-5-14-28(29)4-2/h1-2,5-18,23-24H
InChIKey NOKDUHHWGRWPQV-UHFFFAOYSA-N
Instrument Name Waters Micromass AutoSpec Ultima
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.201800586
Molecular Weight 402.496 g/mol
Reported Formula C32H18
SMILES C(#C)C1=C(C=CC=C1)C#CC=1C=C(C=CC1)C1=C(C=CC=C1)C#CC1=CC(=CC=C1)C#C
SPLASH splash10-0udi-0114900000-c06d177493cd690e8790
Source of Spectrum K1-2018-SM56-24 (DOI: 10.1002/ejoc.201800586)
Wiley ID 1896943