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1-(Phenylethynyl)-2-((2-((3-(trifluoromethyl)phenyl)ethynyl)benzyl)oxy)benzene
SpectraBase Compound ID Lrwl8M6eiOs
InChI InChI=1S/C30H19F3O/c31-30(32,33)28-15-8-11-24(21-28)18-19-25-12-4-5-14-27(25)22-34-29-16-7-6-13-26(29)20-17-23-9-2-1-3-10-23/h1-16,21H,22H2
InChIKey IBPRBDNGQPNDPT-UHFFFAOYSA-N
Mol Weight 452.48 g/mol
Molecular Formula C30H19F3O
Exact Mass 452.1388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QlvUtJEDya
Name 1-(Phenylethynyl)-2-((2-((3-(trifluoromethyl)phenyl)ethynyl)benzyl)oxy)benzene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.138799720 u
Formula C30H19F3O
InChI InChI=1S/C30H19F3O/c31-30(32,33)28-15-8-11-24(21-28)18-19-25-12-4-5-14-27(25)22-34-29-16-7-6-13-26(29)20-17-23-9-2-1-3-10-23/h1-16,21H,22H2
InChIKey IBPRBDNGQPNDPT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200984
Molecular Weight 452.476 g/mol
Quality 70
Reported Formula C30H19F3O
SMILES C1(=CC=CC=C1)C#CC1=C(C=CC=C1)OCC1=C(C=CC=C1)C#CC1=CC=CC(=C1)C(F)(F)F
SPLASH splash10-0a4i-0292300000-634e8b495fc550aa6da6
Source of Spectrum K1-2022-SM41-1o (DOI: 10.1002/ejoc.202200984)
Wiley ID 1898848