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Fluorophene

View entire compound with spectra: 2 FTIR, and 1 Raman

Fluorophene
SpectraBase Compound ID 6e6GKgzpEGN
InChI InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)
InChIKey VYKKDKFTDMVOBU-UHFFFAOYSA-N
Mol Weight 439.03 g/mol
Molecular Formula C14H8Br2F3NO2
Exact Mass 436.887389 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Gdq7nRR0BKi
Name Fluorophene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.887388989 u
Formula C14H8Br2F3NO2
InChI InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)
InChIKey VYKKDKFTDMVOBU-UHFFFAOYSA-N
Molecular Weight 439.026 g/mol
SMILES N(C(C=1C(=C(C=C(C1)Br)Br)O)=O)C=1C=C(C=CC1)C(F)(F)F
Spectrum/Structure Validation Score (Raman) 0.803826