| SpectraBase Spectrum ID |
7PqJ3CfbWJQ |
| Name |
Benzamide, N,N-dinonyl-2,3,4-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.306199400 u |
| Formula |
C25H40F3NO |
| InChI |
InChI=1S/C25H40F3NO/c1-3-5-7-9-11-13-15-19-29(20-16-14-12-10-8-6-4-2)25(30)21-17-18-22(26)24(28)23(21)27/h17-18H,3-16,19-20H2,1-2H3 |
| InChIKey |
TWGVCSMOEXBGSD-UHFFFAOYSA-N |
| Molecular Weight |
427.596 g/mol |
| SMILES |
C1(=C(C=CC(=C1F)C(N(CCCCCCCCC)CCCCCCCCC)=O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875109 |
