SpectraBase Spectrum ID |
J2yQJSk7rUo |
Name |
2-Phenoxy-5-(trifluoromethyl)benzenamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.071448434 u |
Formula |
C13H10F3NO |
InChI |
InChI=1S/C13H10F3NO/c14-13(15,16)9-6-7-12(11(17)8-9)18-10-4-2-1-3-5-10/h1-8H,17H2 |
InChIKey |
FNDYIQSNURRMNP-UHFFFAOYSA-N |
Molecular Weight |
253.224 g/mol |
SMILES |
C(F)(F)(F)C1=CC=C(OC2=CC=CC=C2)C(N)=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96342 |