| SpectraBase Compound ID | L811ln6TCGk |
|---|---|
| InChI | InChI=1S/C19H22N2O2/c1-23-19(22)18-15-20(14-16-8-4-2-5-9-16)12-13-21(18)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3 |
| InChIKey | SQVVRWHCJYIFDH-UHFFFAOYSA-N |
| Mol Weight | 310.4 g/mol |
| Molecular Formula | C19H22N2O2 |
| Exact Mass | 310.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tRkkFOzWqv |
|---|---|
| Name | 4-Benzyl-1-phenylpiperazine-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.168127954 u |
| Formula | C19H22N2O2 |
| InChI | InChI=1S/C19H22N2O2/c1-23-19(22)18-15-20(14-16-8-4-2-5-9-16)12-13-21(18)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3 |
| InChIKey | SQVVRWHCJYIFDH-UHFFFAOYSA-N |
| Molecular Weight | 310.397 g/mol |
| SMILES | C1CN(C(CN1CC1=CC=CC=C1)C(=O)OC)C1=CC=CC=C1 |