| SpectraBase Spectrum ID |
25PpkfdVu4F |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-butyl)-N-tetradecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.286070806 u |
| Formula |
C25H41ClFNO |
| InChI |
InChI=1S/C25H41ClFNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-28(21(3)5-2)25(29)22-18-17-19-23(26)24(22)27/h17-19,21H,4-16,20H2,1-3H3 |
| InChIKey |
LYQWIBVWMHBUBF-UHFFFAOYSA-N |
| Molecular Weight |
426.060 g/mol |
| SMILES |
C(N(C(CC)C)C(=O)C=1C(F)=C(C=CC1)Cl)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859996 |
