| SpectraBase Spectrum ID |
BOkSA6GxTAE |
| Name |
2,2'-(3-(Trifluoromethyl)phenylazanediyl)diethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.097663182 u |
| Formula |
C11H14F3NO2 |
| InChI |
InChI=1S/C11H14F3NO2/c12-11(13,14)9-2-1-3-10(8-9)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7H2 |
| InChIKey |
CSXRYPPKUCHPDW-UHFFFAOYSA-N |
| Molecular Weight |
249.233 g/mol |
| SMILES |
C(N(CCO)C1=CC(C(F)(F)F)=CC=C1)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875386 |
