SpectraBase Spectrum ID |
7LR33jkI8U4 |
Name |
1-(3-(3-Fluorobenzyl)piperidin-1-yl)ethan-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.137242366 u |
Formula |
C14H18FNO |
InChI |
InChI=1S/C14H18FNO/c1-11(17)16-7-3-5-13(10-16)8-12-4-2-6-14(15)9-12/h2,4,6,9,13H,3,5,7-8,10H2,1H3 |
InChIKey |
RJTJINVOBDJTRX-UHFFFAOYSA-N |
Molecular Weight |
235.302 g/mol |
SMILES |
C1N(CCCC1CC1=CC(=CC=C1)F)C(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900608 |