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2-Phenyl-5,6,7,8-tetrafluoro-quinazolin-4-one
SpectraBase Compound ID 79JK3nH4h8
InChI InChI=1S/C14H6F4N2O/c15-8-7-12(11(18)10(17)9(8)16)19-13(20-14(7)21)6-4-2-1-3-5-6/h1-5H,(H,19,20,21)
InChIKey BGYOKYNYETWNMX-UHFFFAOYSA-N
Mol Weight 294.21 g/mol
Molecular Formula C14H6F4N2O
Exact Mass 294.041625 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GCT0Z0VaBwz
Name 2-Phenyl-5,6,7,8-tetrafluoro-quinazolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.041625472 u
Formula C14H6F4N2O
InChI InChI=1S/C14H6F4N2O/c15-8-7-12(11(18)10(17)9(8)16)19-13(20-14(7)21)6-4-2-1-3-5-6/h1-5H,(H,19,20,21)
InChIKey BGYOKYNYETWNMX-UHFFFAOYSA-N
Molecular Weight 294.209 g/mol
SMILES C=1(NC=2C(=C(C(=C(C2C(N1)=O)F)F)F)F)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896032