| SpectraBase Compound ID | 9SjvkO4lEbO |
|---|---|
| InChI | InChI=1S/C20H22N2O4/c1-15-3-7-17(8-4-15)25-19(23)21-11-13-22(14-12-21)20(24)26-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3 |
| InChIKey | BNSPVAYDNYZICS-UHFFFAOYSA-N |
| Mol Weight | 354.41 g/mol |
| Molecular Formula | C20H22N2O4 |
| Exact Mass | 354.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2s3jixgxFy |
|---|---|
| Name | di(p-Tolyl) 1,4-piperazinedicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.157957192 u |
| Formula | C20H22N2O4 |
| InChI | InChI=1S/C20H22N2O4/c1-15-3-7-17(8-4-15)25-19(23)21-11-13-22(14-12-21)20(24)26-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3 |
| InChIKey | BNSPVAYDNYZICS-UHFFFAOYSA-N |
| Molecular Weight | 354.406 g/mol |
| SMILES | C1CN(CCN1C(=O)OC1=CC=C(C=C1)C)C(=O)OC1=CC=C(C=C1)C |