| SpectraBase Compound ID | 2r1dEr2kWN6 |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-9(2)7-12(14)15-11-5-3-10(8-13)4-6-11/h3-7H,1-2H3 |
| InChIKey | KQIOMMKFZCDOIT-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 | ziqK16O08 |
|---|---|
| Name | 3-Methylbut-2-enoic 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/c1-9(2)7-12(14)15-11-5-3-10(8-13)4-6-11/h3-7H,1-2H3 |
| InChIKey | KQIOMMKFZCDOIT-UHFFFAOYSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | CC(C)=CC(OC=1C=CC(C#N)=CC1)=O |