| SpectraBase Compound ID | Fw0KRWyA89X |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c20-16-14(11-12-7-3-1-4-8-12)18-17(21)15(19-16)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,18,21)(H,19,20)/t14-,15+/m0/s1 |
| InChIKey | CSYHWYFWQOYUTM-LSDHHAIUSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIuuAaA1L2H |
|---|---|
| Name | (3S,6R)-3-Benzyl-6-phenyl-piperazine-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c20-16-14(11-12-7-3-1-4-8-12)18-17(21)15(19-16)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,18,21)(H,19,20)/t14-,15+/m0/s1 |
| InChIKey | CSYHWYFWQOYUTM-LSDHHAIUSA-N |
| SMILES | C1(N[C@@](C(N[C@]1(CC1=CC=CC=C1)[H])=O)(C=1C=CC=CC1)[H])=O |