SpectraBase Spectrum ID |
3xvkspMY84J |
Name |
Acetamide, N-[4-(acetyloxy)phenyl]-2,2,2-trifluoro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.045627608 u |
Formula |
C10H8F3NO3 |
InChI |
InChI=1S/C10H8F3NO3/c1-6(15)17-8-4-2-7(3-5-8)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16) |
InChIKey |
GIGSJLIJPJQGEE-UHFFFAOYSA-N |
Molecular Weight |
247.173 g/mol |
SMILES |
CC(=O)OC1=CC=C(NC(=O)C(F)(F)F)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92198 |