| SpectraBase Spectrum ID |
HnDa0uS93au |
| Name |
1-(3-Fluorophenyl)-2-(1-azepino)propan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.152892430 u |
| Formula |
C15H20FNO |
| InChI |
InChI=1S/C15H20FNO/c1-12(17-9-4-2-3-5-10-17)15(18)13-7-6-8-14(16)11-13/h6-8,11-12H,2-5,9-10H2,1H3 |
| InChIKey |
QARCXAPCTJETIU-UHFFFAOYSA-N |
| Molecular Weight |
249.329 g/mol |
| SMILES |
C1(C(C(N2CCCCCC2)C)=O)=CC(=CC=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911221 |
