| SpectraBase Compound ID | Jpx0IQ1l6sI |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-8-2-4-9(5-3-8)13-10(12)6-7-11/h2-5H,6H2,1H3 |
| InChIKey | SKSHWKLFKXISIL-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pf33sd41Av |
|---|---|
| Name | p-Tolyl 2-cyanoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-8-2-4-9(5-3-8)13-10(12)6-7-11/h2-5H,6H2,1H3 |
| InChIKey | SKSHWKLFKXISIL-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C(CC#N)(=O)OC=1C=CC(=CC1)C |