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3,5-bis(Trifluoromethyl)benzylamine, N-trifluoroacetyl-

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

3,5-bis(Trifluoromethyl)benzylamine, N-trifluoroacetyl-
SpectraBase Compound ID 1lYUeux8yZu
InChI InChI=1S/C11H6F9NO/c12-9(13,14)6-1-5(2-7(3-6)10(15,16)17)4-21-8(22)11(18,19)20/h1-3H,4H2,(H,21,22)
InChIKey ZDZMXBGCBGBSKH-UHFFFAOYSA-N
Mol Weight 339.16 g/mol
Molecular Formula C11H6F9NO
Exact Mass 339.030567 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EAZZS5XYYMc
Name 3,5-bis(Trifluoromethyl)benzylamine, N-trifluoroacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.030567283 u
Formula C11H6F9NO
InChI InChI=1S/C11H6F9NO/c12-9(13,14)6-1-5(2-7(3-6)10(15,16)17)4-21-8(22)11(18,19)20/h1-3H,4H2,(H,21,22)
InChIKey ZDZMXBGCBGBSKH-UHFFFAOYSA-N
Molecular Weight 339.161 g/mol
SMILES C1=C(C=C(C=C1C(F)(F)F)CNC(=O)C(F)(F)F)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933199