![Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate](/api/spectrum/3ZZH0sqHrkD/structure.png?h=300&w=458 "Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate")
| SpectraBase Compound ID | 7ir7jXfl90T |
|---|---|
| InChI | InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3 |
| InChIKey | MEYCYFIWDAQKQK-UHFFFAOYSA-N |
| Mol Weight | 248.33 g/mol |
| Molecular Formula | C14H20N2O2 |
| Exact Mass | 248.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZZH0sqHrkD |
|---|---|
| Name | 4-(4-Methylpiperazinyl)methylbenzoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.152477890 u |
| Formula | C14H20N2O2 |
| InChI | InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3 |
| InChIKey | MEYCYFIWDAQKQK-UHFFFAOYSA-N |
| Molecular Weight | 248.326 g/mol |
| SMILES | C1N(CCN(C1)C)CC1=CC=C(C=C1)C(=O)OC |