| SpectraBase Compound ID | BTENcR1zZbh |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-12(2,3)11(14)15-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3 |
| InChIKey | KVCYRHCBMVONNS-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10VZ35cZrp5 |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-12(2,3)11(14)15-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3 |
| InChIKey | KVCYRHCBMVONNS-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | CC(C(=O)OC=1C=CC(C#N)=CC1)(C)C |