| SpectraBase Compound ID | IFFQYIvJRe2 |
|---|---|
| InChI | InChI=1S/C21H26N2O/c1-17(2)19-8-10-20(11-9-19)21(24)23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3 |
| InChIKey | AYCUDRNRIXMKLR-UHFFFAOYSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C21H26N2O |
| Exact Mass | 322.204513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiiNts82kOv |
|---|---|
| Name | 1-Benzyl-4-(4-isopropylbenzoyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.204513464 u |
| Formula | C21H26N2O |
| InChI | InChI=1S/C21H26N2O/c1-17(2)19-8-10-20(11-9-19)21(24)23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3 |
| InChIKey | AYCUDRNRIXMKLR-UHFFFAOYSA-N |
| Molecular Weight | 322.452 g/mol |
| SMILES | C(N1CCN(CC=2C=CC=CC2)CC1)(C=1C=CC(C(C)C)=CC1)=O |