SpectraBase Spectrum ID |
DmwoSaKPBD7 |
Name |
2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.082013117 u |
Formula |
C10H12F3NO2 |
InChI |
InChI=1S/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(6-8(9)14)10(11,12)13/h2-3,6H,4-5,14H2,1H3 |
InChIKey |
VGEAZFFURBQABD-UHFFFAOYSA-N |
Molecular Weight |
235.206 g/mol |
SMILES |
C(F)(F)(F)C1=CC(N)=C(C=C1)OCCOC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970779 |