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4-Bromoaniline, N-pentafluoropropionyl-

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4-Bromoaniline, N-pentafluoropropionyl-
SpectraBase Compound ID BPGB4ZMyjP6
InChI InChI=1S/C9H5BrF5NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17)
InChIKey HMVKHSRRVVVGNF-UHFFFAOYSA-N
Mol Weight 318.04 g/mol
Molecular Formula C9H5BrF5NO
Exact Mass 316.947468 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JCjItlHndma
Name 4-Bromoaniline, N-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.947467599 u
Formula C9H5BrF5NO
InChI InChI=1S/C9H5BrF5NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17)
InChIKey HMVKHSRRVVVGNF-UHFFFAOYSA-N
Molecular Weight 318.041 g/mol
SMILES C1(NC(C(C(F)(F)F)(F)F)=O)=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82188