| SpectraBase Compound ID | 3vvqy7k211H |
|---|---|
| InChI | InChI=1S/C13H13NO2/c14-9-10-5-7-12(8-6-10)16-13(15)11-3-1-2-4-11/h5-8,11H,1-4H2 |
| InChIKey | ROZSAQJIZMVUKD-UHFFFAOYSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dfhLInBvuo |
|---|---|
| Name | Cyclopentanecarboxylic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c14-9-10-5-7-12(8-6-10)16-13(15)11-3-1-2-4-11/h5-8,11H,1-4H2 |
| InChIKey | ROZSAQJIZMVUKD-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C1CC(C(=O)OC=2C=CC(C#N)=CC2)CC1 |