| SpectraBase Spectrum ID |
AL8WwrL3Eai |
| Name |
5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.147392509 u |
| Formula |
C11H20N2O3 |
| InChI |
InChI=1S/C11H20N2O3/c1-12-6-8-13(9-7-12)10(14)4-3-5-11(15)16-2/h3-9H2,1-2H3 |
| InChIKey |
LYDQEDLUEVPTKN-UHFFFAOYSA-N |
| Molecular Weight |
228.292 g/mol |
| SMILES |
C(CCCC(OC)=O)(=O)N1CCN(CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837168 |
