| SpectraBase Compound ID | H6UbnImLwZU |
|---|---|
| InChI | InChI=1S/C13H16N2O2/c1-11-2-4-12(5-3-11)13(17)15-8-6-14(10-16)7-9-15/h2-5,10H,6-9H2,1H3 |
| InChIKey | DGSNCZOOCMPWNM-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C13H16N2O2 |
| Exact Mass | 232.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bhRCLUHRXi |
|---|---|
| Name | 4-(4-Methylbenzoyl)-1-piperazinecarbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.121177761 u |
| Formula | C13H16N2O2 |
| InChI | InChI=1S/C13H16N2O2/c1-11-2-4-12(5-3-11)13(17)15-8-6-14(10-16)7-9-15/h2-5,10H,6-9H2,1H3 |
| InChIKey | DGSNCZOOCMPWNM-UHFFFAOYSA-N |
| Molecular Weight | 232.283 g/mol |
| SMILES | C(=O)(C1=CC=C(C=C1)C)N1CCN(CC1)C=O |