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N-(4-Bromo-2-fluorophenyl)-2-phenylbutanamide

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N-(4-Bromo-2-fluorophenyl)-2-phenylbutanamide
SpectraBase Compound ID FzNcqiI6mVH
InChI InChI=1S/C16H15BrFNO/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(17)10-14(15)18/h3-10,13H,2H2,1H3,(H,19,20)
InChIKey MGKWGLBGFIJQPB-UHFFFAOYSA-N
Mol Weight 336.2 g/mol
Molecular Formula C16H15BrFNO
Exact Mass 335.032105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KvSPtiVrR4f
Name N-(4-Bromo-2-fluorophenyl)-2-phenylbutanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.032105269 u
Formula C16H15BrFNO
InChI InChI=1S/C16H15BrFNO/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(17)10-14(15)18/h3-10,13H,2H2,1H3,(H,19,20)
InChIKey MGKWGLBGFIJQPB-UHFFFAOYSA-N
Molecular Weight 336.204 g/mol
SMILES C1(F)=C(C=CC(=C1)Br)NC(=O)C(CC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892323