SpectraBase Spectrum ID |
EjmBNTBgkBF |
Name |
1-(2-Methoxyphenyl)-2-(piperazin-1-yl)propan-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.152477890 u |
Formula |
C14H20N2O2 |
InChI |
InChI=1S/C14H20N2O2/c1-11(16-9-7-15-8-10-16)14(17)12-5-3-4-6-13(12)18-2/h3-6,11,15H,7-10H2,1-2H3 |
InChIKey |
JQIBUKNJWAETIM-UHFFFAOYSA-N |
Molecular Weight |
248.326 g/mol |
SMILES |
C1=CC=CC(=C1OC)C(C(N1CCNCC1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930967 |