For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(Tert-butyl)aniline, N-trifluoroacetyl-
SpectraBase Compound ID B9PnVb7vkru
InChI InChI=1S/C12H14F3NO/c1-11(2,3)8-5-4-6-9(7-8)16-10(17)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKey BSSQHBRPXPGTGV-UHFFFAOYSA-N
Mol Weight 245.25 g/mol
Molecular Formula C12H14F3NO
Exact Mass 245.102749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6ntfHHQe9y8
Name 3-(Tert-butyl)aniline, N-trifluoroacetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.102748563 u
Formula C12H14F3NO
InChI InChI=1S/C12H14F3NO/c1-11(2,3)8-5-4-6-9(7-8)16-10(17)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKey BSSQHBRPXPGTGV-UHFFFAOYSA-N
Molecular Weight 245.245 g/mol
SMILES C(C)(C)(C)C1=CC(NC(C(F)(F)F)=O)=CC=C1