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4-Bromo-2-fluoro-5-nitroaniline, N-acetyl-

View entire compound with spectra: 1 FTIR

4-Bromo-2-fluoro-5-nitroaniline, N-acetyl-
SpectraBase Compound ID K7iVrsUwsiT
InChI InChI=1S/C8H6BrFN2O3/c1-4(13)11-7-3-8(12(14)15)5(9)2-6(7)10/h2-3H,1H3,(H,11,13)
InChIKey HNCIFIQHBRCORZ-UHFFFAOYSA-N
Mol Weight 277.05 g/mol
Molecular Formula C8H6BrFN2O3
Exact Mass 275.954583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3nOWNvWAEei
Name 4-Bromo-2-fluoro-5-nitroaniline, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.954583221 u
Formula C8H6BrFN2O3
InChI InChI=1S/C8H6BrFN2O3/c1-4(13)11-7-3-8(12(14)15)5(9)2-6(7)10/h2-3H,1H3,(H,11,13)
InChIKey HNCIFIQHBRCORZ-UHFFFAOYSA-N
Molecular Weight 277.049 g/mol
SMILES C1(F)=C(C=C(C(=C1)Br)N(=O)=O)NC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954655