SpectraBase Spectrum ID |
LRDbURgEuWD |
Name |
Benzamide, 3-chloro-2-fluoro-N-(2-pentyl)-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
327.176520355 u |
Formula |
C18H27ClFNO |
InChI |
InChI=1S/C18H27ClFNO/c1-4-6-7-8-13-21(14(3)10-5-2)18(22)15-11-9-12-16(19)17(15)20/h9,11-12,14H,4-8,10,13H2,1-3H3 |
InChIKey |
UFIAGZGWKIWTGS-UHFFFAOYSA-N |
Molecular Weight |
327.871 g/mol |
SMILES |
C(C1=C(C(=CC=C1)Cl)F)(N(CCCCCC)C(CCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859524 |