| SpectraBase Spectrum ID |
6bqprANvp8z |
| Name |
Benzamide, 2,3,4-trifluoro-N-(2-pentyl)-N-undecyl- |
| 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/c1-4-6-7-8-9-10-11-12-13-17-27(18(3)14-5-2)23(28)19-15-16-20(24)22(26)21(19)25/h15-16,18H,4-14,17H2,1-3H3 |
| InChIKey |
VHJKFVNYXMPWGW-UHFFFAOYSA-N |
| Molecular Weight |
399.542 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(F)=C(C(=CC1)F)F)CCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80319 |
