| SpectraBase Spectrum ID |
ITasfTPn94l |
| Name |
Benzamide, 3-chloro-2-fluoro-N-butyl-N-octadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.348671064 u |
| Formula |
C29H49ClFNO |
| InChI |
InChI=1S/C29H49ClFNO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(24-6-4-2)29(33)26-22-21-23-27(30)28(26)31/h21-23H,3-20,24-25H2,1-2H3 |
| InChIKey |
TVSXJDPJAFHKQB-UHFFFAOYSA-N |
| Molecular Weight |
482.168 g/mol |
| SMILES |
C1=CC=C(C(=C1Cl)F)C(N(CCCC)CCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839101 |
