| SpectraBase Compound ID | G06LL6muK4e |
|---|---|
| InChI | InChI=1S/C16H13NO2/c1-2-19-16(18)15-6-4-3-5-14(15)13-9-7-12(11-17)8-10-13/h3-10H,2H2,1H3 |
| InChIKey | JKUDXSSJIASHFG-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 | 1xqojVVgsst |
|---|---|
| Name | 4'-Cyano-biphenyl-2-carboxylic acid ethyl ester |
| 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/c1-2-19-16(18)15-6-4-3-5-14(15)13-9-7-12(11-17)8-10-13/h3-10H,2H2,1H3 |
| InChIKey | JKUDXSSJIASHFG-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C=1(C(=CC=CC1)C(OCC)=O)C1=CC=C(C=C1)C#N |