SpectraBase Spectrum ID |
D7CE8whexol |
Name |
Benzamide, 3-fluoro-N-heptyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.152892430 u |
Formula |
C14H20FNO |
InChI |
InChI=1S/C14H20FNO/c1-2-3-4-5-6-10-16-14(17)12-8-7-9-13(15)11-12/h7-9,11H,2-6,10H2,1H3,(H,16,17) |
InChIKey |
GGPJOGKWRMERNB-UHFFFAOYSA-N |
Molecular Weight |
237.318 g/mol |
SMILES |
C(NCCCCCCC)(=O)C=1C=CC=C(F)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856291 |