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5-Fluoro-2-phenyl-4H-3,1-benzoxazin-4-one

View entire compound with spectra: 9 NMR, 2 FTIR, and 1 Raman

5-Fluoro-2-phenyl-4H-3,1-benzoxazin-4-one
SpectraBase Compound ID CgRAO0G7XLY
InChI InChI=1S/C14H8FNO2/c15-10-7-4-8-11-12(10)14(17)18-13(16-11)9-5-2-1-3-6-9/h1-8H
InChIKey KPKRDNDXPAJNQS-UHFFFAOYSA-N
Mol Weight 241.22 g/mol
Molecular Formula C14H8FNO2
Exact Mass 241.053907 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6BxVwbJp2Xt
Name 5-Fluoro-2-phenyl-4H-3,1-benzoxazin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.053906663 u
Formula C14H8FNO2
InChI InChI=1S/C14H8FNO2/c15-10-7-4-8-11-12(10)14(17)18-13(16-11)9-5-2-1-3-6-9/h1-8H
InChIKey KPKRDNDXPAJNQS-UHFFFAOYSA-N
Molecular Weight 241.221 g/mol
SMILES C=1(C2=CC=CC=C2)OC(C=2C(=CC=CC2N1)F)=O
Spectrum/Structure Validation Score (Raman) 0.864896