SpectraBase Spectrum ID |
Gy9Klb6NkBF |
Name |
Benzamide, 2,6-difluoro-3-methyl-N-benzyl-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.159120625 u |
Formula |
C19H21F2NO |
InChI |
InChI=1S/C19H21F2NO/c1-3-4-12-22(13-15-8-6-5-7-9-15)19(23)17-16(20)11-10-14(2)18(17)21/h5-11H,3-4,12-13H2,1-2H3 |
InChIKey |
NTCVQBZWCAWHLV-UHFFFAOYSA-N |
Molecular Weight |
317.380 g/mol |
SMILES |
C(N(CCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89994 |