| SpectraBase Compound ID | Kts4EjmdGUC |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3 |
| InChIKey | YCYITKXAJQLLDP-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wQP1FSRHlv |
|---|---|
| Name | 2-Methylpropionic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3 |
| InChIKey | YCYITKXAJQLLDP-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C(C(=O)OC=1C=CC(C#N)=CC1)(C)C |