SpectraBase Spectrum ID |
ETflDTr4tcX |
Name |
4-Tert-butylaniline, N-trifluoroacetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
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)8-4-6-9(7-5-8)16-10(17)12(13,14)15/h4-7H,1-3H3,(H,16,17) |
InChIKey |
XDZUVXHBAZEXRJ-UHFFFAOYSA-N |
Molecular Weight |
245.245 g/mol |
SMILES |
C(C)(C)(C)C1=CC=C(C=C1)NC(C(F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873014 |