SpectraBase Spectrum ID |
B6UmQ8dIFyf |
Name |
1-(4-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)12-3-5-13(18-2)6-4-12/h3-6,11,15H,7-10H2,1-2H3 |
InChIKey |
HAEROVBNZLYOOD-UHFFFAOYSA-N |
Molecular Weight |
248.326 g/mol |
SMILES |
C1=C(C=CC(=C1)C(C(N1CCNCC1)C)=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963086 |