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Propenone, 1-(4-bromophenyl)-3-(4-chloro-2-fluorophenylamino)-
SpectraBase Compound ID 7Dfnn5YiJug
InChI InChI=1S/C15H10BrClFNO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7+
InChIKey ITVUXAIXNSMATR-BQYQJAHWSA-N
Mol Weight 354.61 g/mol
Molecular Formula C15H10BrClFNO
Exact Mass 352.961833 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KpGE2NWJlL9
Name Propenone, 1-(4-bromophenyl)-3-(4-chloro-2-fluorophenylamino)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.961832808 u
Formula C15H10BrClFNO
InChI InChI=1S/C15H10BrClFNO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7+
InChIKey ITVUXAIXNSMATR-BQYQJAHWSA-N
Molecular Weight 354.606 g/mol
SMILES C1(=CC(=CC=C1N\C=C\C(C1=CC=C(C=C1)Br)=O)Cl)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937453