| SpectraBase Compound ID | 2qeZwJh0G71 |
|---|---|
| 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 |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C11H20N2O3 |
| Exact Mass | 228.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwTCExDc3oq |
|---|---|
| Name | 5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |