SpectraBase Spectrum ID |
13f1mBfZAVF |
Name |
3-Hydroxydiphenylamine, N,o-bis-trifluoroacetyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
377.048662129 u |
Formula |
C16H9F6NO3 |
InChI |
InChI=1S/C16H9F6NO3/c17-15(18,19)13(24)23(10-5-2-1-3-6-10)11-7-4-8-12(9-11)26-14(25)16(20,21)22/h1-9H |
InChIKey |
AJXVCYNWBNCQPG-UHFFFAOYSA-N |
Molecular Weight |
377.242 g/mol |
SMILES |
C1=C(N(C(=O)C(F)(F)F)C2=CC=CC(=C2)OC(C(F)(F)F)=O)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920713 |