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1-((4-Chlorophenyl)ethynyl)-2-((2-(phenylethynyl)benzyl)oxy)benzene
SpectraBase Compound ID 9Wr7j848fMq
InChI InChI=1S/C29H19ClO/c30-28-20-16-24(17-21-28)15-19-26-11-6-7-13-29(26)31-22-27-12-5-4-10-25(27)18-14-23-8-2-1-3-9-23/h1-13,16-17,20-21H,22H2
InChIKey GRKYPDFPDCTGCJ-UHFFFAOYSA-N
Mol Weight 418.92 g/mol
Molecular Formula C29H19ClO
Exact Mass 418.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5j37cmK22R4
Name 1-((4-Chlorophenyl)ethynyl)-2-((2-(phenylethynyl)benzyl)oxy)benzene
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.112442931 u
Formula C29H19ClO
InChI InChI=1S/C29H19ClO/c30-28-20-16-24(17-21-28)15-19-26-11-6-7-13-29(26)31-22-27-12-5-4-10-25(27)18-14-23-8-2-1-3-9-23/h1-13,16-17,20-21H,22H2
InChIKey GRKYPDFPDCTGCJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200984
Molecular Weight 418.923 g/mol
Quality 44
Reported Formula C29H19ClO
SMILES C1(Cl)=CC=C(C=C1)C#CC1=C(C=CC=C1)OCC1=C(C=CC=C1)C#CC1=CC=CC=C1
SPLASH splash10-004r-0891000000-fb545e9057536656fadd
Source of Spectrum K1-2022-SM38-1f (DOI: 10.1002/ejoc.202200984)
Wiley ID 1898839