SpectraBase Spectrum ID |
86sacljaSHH |
Name |
Benzamide, 2-fluoro-N-(2-pentyl)-N-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
335.262442881 u |
Formula |
C21H34FNO |
InChI |
InChI=1S/C21H34FNO/c1-4-6-7-8-9-10-13-17-23(18(3)14-5-2)21(24)19-15-11-12-16-20(19)22/h11-12,15-16,18H,4-10,13-14,17H2,1-3H3 |
InChIKey |
SZOKKHFMPOOHGA-UHFFFAOYSA-N |
Molecular Weight |
335.507 g/mol |
SMILES |
C(N(C(CCC)C)C(=O)C=1C(F)=CC=CC1)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878663 |