SpectraBase Spectrum ID |
J1Ce6ba20eY |
Name |
Benzamide, 3-methoxy-2,4,5-trifluoro-N-(2-butyl)-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
415.269813890 u |
Formula |
C23H36F3NO2 |
InChI |
InChI=1S/C23H36F3NO2/c1-5-7-8-9-10-11-12-13-14-15-27(17(3)6-2)23(28)18-16-19(24)21(26)22(29-4)20(18)25/h16-17H,5-15H2,1-4H3 |
InChIKey |
CNJPMEMFBYYXBQ-UHFFFAOYSA-N |
Molecular Weight |
415.541 g/mol |
SMILES |
C(N(CCCCCCCCCCC)C(CC)C)(=O)C=1C(F)=C(C(=C(F)C1)F)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87667 |