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4-Butylaniline, N-heptafluorobutyryl-

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

4-Butylaniline, N-heptafluorobutyryl-
SpectraBase Compound ID CLE7QUA0JKx
InChI InChI=1S/C14H14F7NO/c1-2-3-4-9-5-7-10(8-6-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h5-8H,2-4H2,1H3,(H,22,23)
InChIKey OYBNDDMDAIMMNA-UHFFFAOYSA-N
Mol Weight 345.26 g/mol
Molecular Formula C14H14F7NO
Exact Mass 345.096361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9WR8f4V82oS
Name 4-Butylaniline, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.096361215 u
Formula C14H14F7NO
InChI InChI=1S/C14H14F7NO/c1-2-3-4-9-5-7-10(8-6-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h5-8H,2-4H2,1H3,(H,22,23)
InChIKey OYBNDDMDAIMMNA-UHFFFAOYSA-N
Molecular Weight 345.261 g/mol
SMILES C(CCC)C1=CC=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872979