SpectraBase Spectrum ID |
7Py0GbBM6kx |
Name |
Benzamide, 2-fluoro-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
209.121592301 u |
Formula |
C12H16FNO |
InChI |
InChI=1S/C12H16FNO/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15) |
InChIKey |
HQURIOKKGUZWCC-UHFFFAOYSA-N |
Molecular Weight |
209.264 g/mol |
SMILES |
C1=C(C(=CC=C1)C(NCCC(C)C)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829412 |