SpectraBase Spectrum ID |
5rPVoc3oeOf |
Name |
[2-Isopropoxy-5-(trifluoromethyl)phenyl]amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.087098498 u |
Formula |
C10H12F3NO |
InChI |
InChI=1S/C10H12F3NO/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,14H2,1-2H3 |
InChIKey |
PTRMADBLPXBJBJ-UHFFFAOYSA-N |
Molecular Weight |
219.207 g/mol |
SMILES |
C1(N)=C(C=CC(=C1)C(F)(F)F)OC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918314 |