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4-Fluoro-2-((2-((2-((5-fluoro-2-methoxyphenyl)ethynyl)benzyl)oxy)phenyl)ethynyl)-1-methoxybenzene
SpectraBase Compound ID LZ01WLvgoX0
InChI InChI=1S/C31H22F2O3/c1-34-29-17-15-27(32)19-24(29)13-11-22-7-3-4-9-26(22)21-36-31-10-6-5-8-23(31)12-14-25-20-28(33)16-18-30(25)35-2/h3-10,15-20H,21H2,1-2H3
InChIKey JADUOLFFBMXSQD-UHFFFAOYSA-N
Mol Weight 480.51 g/mol
Molecular Formula C31H22F2O3
Exact Mass 480.153701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75tszueDYe3
Name 4-Fluoro-2-((2-((2-((5-fluoro-2-methoxyphenyl)ethynyl)benzyl)oxy)phenyl)ethynyl)-1-methoxybenzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.153700891 u
Formula C31H22F2O3
InChI InChI=1S/C31H22F2O3/c1-34-29-17-15-27(32)19-24(29)13-11-22-7-3-4-9-26(22)21-36-31-10-6-5-8-23(31)12-14-25-20-28(33)16-18-30(25)35-2/h3-10,15-20H,21H2,1-2H3
InChIKey JADUOLFFBMXSQD-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200984
Molecular Weight 480.511 g/mol
Quality 45
Reported Formula C31H22F2O3
SMILES C1(F)=CC(=C(C=C1)OC)C#CC1=C(C=CC=C1)OCC1=C(C=CC=C1)C#CC1=C(C=CC(=C1)F)OC
SPLASH splash10-00dj-0892100000-50a6d2757de770d18556
Source of Spectrum K1-2022-SM43-1w (DOI: 10.1002/ejoc.202200984)
Wiley ID 1898855