SpectraBase Spectrum ID |
LvGIvFZ9ALm |
Name |
Benzamide, 2-fluoro-N-methyl-N-heptyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
251.168542494 u |
Formula |
C15H22FNO |
InChI |
InChI=1S/C15H22FNO/c1-3-4-5-6-9-12-17(2)15(18)13-10-7-8-11-14(13)16/h7-8,10-11H,3-6,9,12H2,1-2H3 |
InChIKey |
IEYUVMMIOOIROL-UHFFFAOYSA-N |
Molecular Weight |
251.345 g/mol |
SMILES |
C(=O)(N(CCCCCCC)C)C=1C=CC=CC1F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833679 |