| SpectraBase Spectrum ID |
Fi62Fv3uC1W |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-pentyl)-N-hexadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.333020999 u |
| Formula |
C28H47ClFNO |
| InChI |
InChI=1S/C28H47ClFNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31(24(3)20-5-2)28(32)25-21-19-22-26(29)27(25)30/h19,21-22,24H,4-18,20,23H2,1-3H3 |
| InChIKey |
XLOCLCBUVMXNKL-UHFFFAOYSA-N |
| Molecular Weight |
468.141 g/mol |
| SMILES |
C(C1=C(C(=CC=C1)Cl)F)(N(CCCCCCCCCCCCCCCC)C(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862193 |
