| SpectraBase Compound ID | APjGjRjbCrd |
|---|---|
| InChI | InChI=1S/C18H14N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-12H,(H,19,22)(H,20,21) |
| InChIKey | RFSUEJIDSYCCLL-UHFFFAOYSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C18H14N2O2 |
| Exact Mass | 290.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CMSDVoUApC |
|---|---|
| Name | 3,6-Dibenzylidene-2,5-piperazinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.105527697 u |
| Formula | C18H14N2O2 |
| InChI | InChI=1S/C18H14N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-12H,(H,19,22)(H,20,21) |
| InChIKey | RFSUEJIDSYCCLL-UHFFFAOYSA-N |
| Molecular Weight | 290.322 g/mol |
| SMILES | N1C(C(NC(C1=O)=CC=1C=CC=CC1)=O)=CC1=CC=CC=C1 |