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2-Benzylaniline, N-pentafluoropropionyl-

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

2-Benzylaniline, N-pentafluoropropionyl-
SpectraBase Compound ID FP1gVtPSc1y
InChI InChI=1S/C16H12F5NO/c17-15(18,16(19,20)21)14(23)22-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,22,23)
InChIKey KJBDIGYBHBIOOB-UHFFFAOYSA-N
Mol Weight 329.27 g/mol
Molecular Formula C16H12F5NO
Exact Mass 329.083905 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ehZkT1MNbt
Name 2-Benzylaniline, N-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.083904824 u
Formula C16H12F5NO
InChI InChI=1S/C16H12F5NO/c17-15(18,16(19,20)21)14(23)22-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,22,23)
InChIKey KJBDIGYBHBIOOB-UHFFFAOYSA-N
Molecular Weight 329.270 g/mol
SMILES C1(NC(C(C(F)(F)F)(F)F)=O)=C(C=CC=C1)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825803