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3-Fluoro-5-trifluoromethylbenzamide, N-(4-bromophenyl)-
SpectraBase Compound ID BM4AR2iR7iM
InChI InChI=1S/C14H8BrF4NO/c15-10-1-3-12(4-2-10)20-13(21)8-5-9(14(17,18)19)7-11(16)6-8/h1-7H,(H,20,21)
InChIKey SOPFRYSXMODMRA-UHFFFAOYSA-N
Mol Weight 362.12 g/mol
Molecular Formula C14H8BrF4NO
Exact Mass 360.97254 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LCWObrOL2aJ
Name 3-Fluoro-5-trifluoromethylbenzamide, N-(4-bromophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.972539533 u
Formula C14H8BrF4NO
InChI InChI=1S/C14H8BrF4NO/c15-10-1-3-12(4-2-10)20-13(21)8-5-9(14(17,18)19)7-11(16)6-8/h1-7H,(H,20,21)
InChIKey SOPFRYSXMODMRA-UHFFFAOYSA-N
Molecular Weight 362.122 g/mol
SMILES C1=C(C=C(C=C1C(F)(F)F)F)C(=O)NC1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819066