| SpectraBase Compound ID | BDTK4nabENq |
|---|---|
| InChI | InChI=1S/C18H14N4O2/c19-13-20-18-21(16(23)14-7-3-1-4-8-14)11-12-22(18)17(24)15-9-5-2-6-10-15/h1-10H,11-12H2 |
| InChIKey | KZISZPXXSXIHGO-UHFFFAOYSA-N |
| Mol Weight | 318.34 g/mol |
| Molecular Formula | C18H14N4O2 |
| Exact Mass | 318.111676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRBQM7mEYh9 |
|---|---|
| Name | 1,3-Dibenzoyl-2-(N-cyanoimino)imidazolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.111675705 u |
| Formula | C18H14N4O2 |
| InChI | InChI=1S/C18H14N4O2/c19-13-20-18-21(16(23)14-7-3-1-4-8-14)11-12-22(18)17(24)15-9-5-2-6-10-15/h1-10H,11-12H2 |
| InChIKey | KZISZPXXSXIHGO-UHFFFAOYSA-N |
| Molecular Weight | 318.336 g/mol |
| SMILES | C1(N(CCN1C(C=1C=CC=CC1)=O)C(C=1C=CC=CC1)=O)=NC#N |