| SpectraBase Compound ID | 17qWxaD0jrn |
|---|---|
| InChI | InChI=1S/C16H13NO2/c17-12-16(11-15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11H2,(H,18,19) |
| InChIKey | GOPLEFHQZLVFTB-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C16H13NO2 |
| Exact Mass | 251.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kjn9Ht33qA3 |
|---|---|
| Name | Propionic acid, 3-cyano-3,3-diphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.094628661 u |
| Formula | C16H13NO2 |
| InChI | InChI=1S/C16H13NO2/c17-12-16(11-15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11H2,(H,18,19) |
| InChIKey | GOPLEFHQZLVFTB-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C1=CC=CC(=C1)C(C#N)(CC(O)=O)C1=CC=CC=C1 |