SpectraBase Spectrum ID |
54iO9xHioNe |
Name |
Benzamide, 2,3,4-trifluoro-N-(2-butyl)-N-ethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.118398627 u |
Formula |
C13H16F3NO |
InChI |
InChI=1S/C13H16F3NO/c1-4-8(3)17(5-2)13(18)9-6-7-10(14)12(16)11(9)15/h6-8H,4-5H2,1-3H3 |
InChIKey |
AYNTUHLEFDCIPW-UHFFFAOYSA-N |
Molecular Weight |
259.272 g/mol |
SMILES |
C1=CC(=C(C(=C1C(N(CC)C(CC)C)=O)F)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858376 |