| SpectraBase Spectrum ID |
jXEoZZRkrp |
| Name |
1-(3-(3-Methoxybenzyl)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 |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-12(17)16-8-4-6-14(11-16)9-13-5-3-7-15(10-13)18-2/h3,5,7,10,14H,4,6,8-9,11H2,1-2H3 |
| InChIKey |
GXTKGFLWJXTRGE-UHFFFAOYSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
C1N(CCCC1CC1=CC(=CC=C1)OC)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942646 |
