| SpectraBase Spectrum ID |
BnU3D5uS1A1 |
| Name |
Benzamide, N,N-bis(2-ethylhexyl)-2,3,4-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.274899271 u |
| Formula |
C23H36F3NO |
| InChI |
InChI=1S/C23H36F3NO/c1-5-9-11-17(7-3)15-27(16-18(8-4)12-10-6-2)23(28)19-13-14-20(24)22(26)21(19)25/h13-14,17-18H,5-12,15-16H2,1-4H3 |
| InChIKey |
WAVNZCNDZIPKDP-UHFFFAOYSA-N |
| Molecular Weight |
399.542 g/mol |
| SMILES |
C1(=C(C=CC(=C1F)C(N(CC(CCCC)CC)CC(CC)CCCC)=O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902164 |
