SpectraBase Spectrum ID |
9PDsUBjKOXC |
Name |
Benzamide, 2,6-difluoro-3-methyl-N-benzyl-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
415.268671076 u |
Formula |
C26H35F2NO |
InChI |
InChI=1S/C26H35F2NO/c1-3-4-5-6-7-8-9-10-14-19-29(20-22-15-12-11-13-16-22)26(30)24-23(27)18-17-21(2)25(24)28/h11-13,15-18H,3-10,14,19-20H2,1-2H3 |
InChIKey |
GXRWXVLNSVGYKK-UHFFFAOYSA-N |
Molecular Weight |
415.569 g/mol |
SMILES |
C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82892 |