| SpectraBase Compound ID | FXD62h0joId |
|---|---|
| InChI | InChI=1S/C8H11NO2/c1-8(2)5-6(8)7(10)11-4-3-9/h6H,4-5H2,1-2H3 |
| InChIKey | REQTWLMCWGOEMS-UHFFFAOYSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H11NO2 |
| Exact Mass | 153.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ePce12bZW |
|---|---|
| Name | 2,2-Dimethylcyclopropancarboxylic acid,cyanomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.078978596 u |
| Formula | C8H11NO2 |
| InChI | InChI=1S/C8H11NO2/c1-8(2)5-6(8)7(10)11-4-3-9/h6H,4-5H2,1-2H3 |
| InChIKey | REQTWLMCWGOEMS-UHFFFAOYSA-N |
| Molecular Weight | 153.181 g/mol |
| SMILES | C1(C(C)(C)C1)C(=O)OCC#N |