SpectraBase Spectrum ID |
IHauOop9RMw |
Name |
Benzamide, 2,6-difluoro-N-(2-butyl)-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.112170432 u |
Formula |
C12H15F2NO |
InChI |
InChI=1S/C12H15F2NO/c1-4-8(2)15(3)12(16)11-9(13)6-5-7-10(11)14/h5-8H,4H2,1-3H3 |
InChIKey |
SLFOBBOKPYZERJ-UHFFFAOYSA-N |
Molecular Weight |
227.255 g/mol |
SMILES |
C(N(C(CC)C)C)(=O)C=1C(F)=CC=CC1F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80105 |