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1,2-Bis(4-fluoromethylphenyl)ethane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,2-Bis(4-fluoromethylphenyl)ethane
SpectraBase Compound ID y6FEv7uT5q
InChI InChI=1S/C16H12F6/c1-10(11-2-6-13(7-3-11)15(17,18)19)12-4-8-14(9-5-12)16(20,21)22/h2-10H,1H3
InChIKey AHRHQTFKEYIECM-UHFFFAOYSA-N
Mol Weight 318.26 g/mol
Molecular Formula C16H12F6
Exact Mass 318.084319 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CTkJjvqSxHW
Name 1,2-bis(4-Fluoromethylphenyl)ethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.084319364 u
Formula C16H12F6
InChI InChI=1S/C16H12F6/c1-10(11-2-6-13(7-3-11)15(17,18)19)12-4-8-14(9-5-12)16(20,21)22/h2-10H,1H3
InChIKey AHRHQTFKEYIECM-UHFFFAOYSA-N
Molecular Weight 318.262 g/mol
SMILES C(C=1C=CC(=CC1)C(C=1C=CC(C(F)(F)F)=CC1)C)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846027