| SpectraBase Compound ID | AO2quSocfs9 |
|---|---|
| InChI | InChI=1S/C17H13NO4/c18-11-15(22-17(20)14-9-5-2-6-10-14)12-21-16(19)13-7-3-1-4-8-13/h1-10,15H,12H2 |
| InChIKey | LKIMWUXHYSHMQF-UHFFFAOYSA-N |
| Mol Weight | 295.29 g/mol |
| Molecular Formula | C17H13NO4 |
| Exact Mass | 295.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hah4B2WaEwd |
|---|---|
| Name | 2,3-di-o-Benzoyl-D,L-glycerononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.084457899 u |
| Formula | C17H13NO4 |
| InChI | InChI=1S/C17H13NO4/c18-11-15(22-17(20)14-9-5-2-6-10-14)12-21-16(19)13-7-3-1-4-8-13/h1-10,15H,12H2 |
| InChIKey | LKIMWUXHYSHMQF-UHFFFAOYSA-N |
| Molecular Weight | 295.294 g/mol |
| SMILES | C(C(OC(=O)C1=CC=CC=C1)C#N)OC(=O)C1=CC=CC=C1 |