SpectraBase Spectrum ID |
2j9YVlwKfVi |
Name |
Benzamide, 2,6-difluoro-3-methyl-N-(2-phenylethyl)-N-isobutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
331.174770690 u |
Formula |
C20H23F2NO |
InChI |
InChI=1S/C20H23F2NO/c1-14(2)13-23(12-11-16-7-5-4-6-8-16)20(24)18-17(21)10-9-15(3)19(18)22/h4-10,14H,11-13H2,1-3H3 |
InChIKey |
CILAVTWUJBLEAR-UHFFFAOYSA-N |
Molecular Weight |
331.407 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=CC=C(C1F)C)F)CC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813653 |