| SpectraBase Compound ID | 6ekzrjZaKdu |
|---|---|
| InChI | InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17-2/h3-6H,7-10H2,1-2H3 |
| InChIKey | LXCXOZWVDWCOCC-UHFFFAOYSA-N |
| Mol Weight | 234.3 g/mol |
| Molecular Formula | C13H18N2O2 |
| Exact Mass | 234.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcwPhOknMSA |
|---|---|
| Name | 4-(4-Methylpiperazino)benzoic acid, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.136827826 u |
| Formula | C13H18N2O2 |
| InChI | InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17-2/h3-6H,7-10H2,1-2H3 |
| InChIKey | LXCXOZWVDWCOCC-UHFFFAOYSA-N |
| Molecular Weight | 234.299 g/mol |
| SMILES | C(C1=CC=C(C=C1)N1CCN(CC1)C)(=O)OC |