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4-Bromo-5-fluoro-2-nitro-N-propylaniline

View entire compound with spectra: 1 FTIR

4-Bromo-5-fluoro-2-nitro-N-propylaniline
SpectraBase Compound ID BeBRfHURcJx
InChI InChI=1S/C9H10BrFN2O2/c1-2-3-12-8-5-7(11)6(10)4-9(8)13(14)15/h4-5,12H,2-3H2,1H3
InChIKey OQKJMCBZXPDHHY-UHFFFAOYSA-N
Mol Weight 277.09 g/mol
Molecular Formula C9H10BrFN2O2
Exact Mass 275.990969 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8dHAe2r7QXV
Name 4-Bromo-5-fluoro-2-nitro-N-propylaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.990968731 u
Formula C9H10BrFN2O2
InChI InChI=1S/C9H10BrFN2O2/c1-2-3-12-8-5-7(11)6(10)4-9(8)13(14)15/h4-5,12H,2-3H2,1H3
InChIKey OQKJMCBZXPDHHY-UHFFFAOYSA-N
Molecular Weight 277.093 g/mol
SMILES C1(NCCC)=C(C=C(C(=C1)F)Br)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826811