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4-Butylaniline, N-pentafluoropropionyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Butylaniline, N-pentafluoropropionyl-
SpectraBase Compound ID 7LJhOdx1XJT
InChI InChI=1S/C13H14F5NO/c1-2-3-4-9-5-7-10(8-6-9)19-11(20)12(14,15)13(16,17)18/h5-8H,2-4H2,1H3,(H,19,20)
InChIKey ZFNMZPTXWDXUDX-UHFFFAOYSA-N
Mol Weight 295.25 g/mol
Molecular Formula C13H14F5NO
Exact Mass 295.099555 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ob50WgZUk3
Name 4-Butylaniline, N-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.099554889 u
Formula C13H14F5NO
InChI InChI=1S/C13H14F5NO/c1-2-3-4-9-5-7-10(8-6-9)19-11(20)12(14,15)13(16,17)18/h5-8H,2-4H2,1H3,(H,19,20)
InChIKey ZFNMZPTXWDXUDX-UHFFFAOYSA-N
Molecular Weight 295.253 g/mol
SMILES C(CCC)C1=CC=C(C=C1)NC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859621