SpectraBase Spectrum ID |
6pQ2WJj8f3I |
Name |
3-Methoxydiphenylamine, N-pentafluoropropionyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
345.078819443 u |
Formula |
C16H12F5NO2 |
InChI |
InChI=1S/C16H12F5NO2/c1-24-13-9-5-8-12(10-13)22(11-6-3-2-4-7-11)14(23)15(17,18)16(19,20)21/h2-10H,1H3 |
InChIKey |
HBKBDBWKMGYCFX-UHFFFAOYSA-N |
Molecular Weight |
345.269 g/mol |
SMILES |
C1=C(C=CC=C1)N(C1=CC=CC(=C1)OC)C(C(C(F)(F)F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84431 |