SpectraBase Spectrum ID |
axNYtoqWx6 |
Name |
Benzeneethanamine, 3-[(4-trifluoromethyl)phenyloxy]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.102748563 u |
Formula |
C15H14F3NO |
InChI |
InChI=1S/C15H14F3NO/c16-15(17,18)12-4-6-13(7-5-12)20-14-3-1-2-11(10-14)8-9-19/h1-7,10H,8-9,19H2 |
InChIKey |
COVLHTATZQALBW-UHFFFAOYSA-N |
Molecular Weight |
281.278 g/mol |
SMILES |
C1=CC=C(C=C1OC1=CC=C(C=C1)C(F)(F)F)CCN |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807576 |