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2-Fluoro-1,4-bis[(4-methoxyphenyl)ethynyl]benzene
SpectraBase Compound ID CPAumCtCUkj
InChI InChI=1S/C24H17FO2/c1-26-22-13-7-18(8-14-22)3-4-20-6-12-21(24(25)17-20)11-5-19-9-15-23(27-2)16-10-19/h6-10,12-17H,1-2H3
InChIKey DLBFGZHBZXPGJG-UHFFFAOYSA-N
Mol Weight 356.4 g/mol
Molecular Formula C24H17FO2
Exact Mass 356.121258 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ACNvJlCI18S
Name 2-Fluoro-1,4-bis[(4-methoxyphenyl)ethynyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.121257948 u
Formula C24H17FO2
InChI InChI=1S/C24H17FO2/c1-26-22-13-7-18(8-14-22)3-4-20-6-12-21(24(25)17-20)11-5-19-9-15-23(27-2)16-10-19/h6-10,12-17H,1-2H3
InChIKey DLBFGZHBZXPGJG-UHFFFAOYSA-N
Molecular Weight 356.396 g/mol
SMILES C(#CC1=CC=C(C=C1)OC)C1=C(C=C(C#CC2=CC=C(C=C2)OC)C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858495