| SpectraBase Compound ID | AnOpkdh46dl |
|---|---|
| InChI | InChI=1S/C12H11NO2/c13-8-9-4-6-11(7-5-9)15-12(14)10-2-1-3-10/h4-7,10H,1-3H2 |
| InChIKey | ILZYZHSUQGGPKH-UHFFFAOYSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABt2lEzNmqt |
|---|---|
| Name | Cyclobutanecarboxylic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c13-8-9-4-6-11(7-5-9)15-12(14)10-2-1-3-10/h4-7,10H,1-3H2 |
| InChIKey | ILZYZHSUQGGPKH-UHFFFAOYSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C1(CCC1)C(OC=1C=CC(C#N)=CC1)=O |