![2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(1,3-dioxolan-2-ylidene)acetonitrile](/api/spectrum/4cVWhrEeaQA/structure.png?h=300&w=458 "2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(1,3-dioxolan-2-ylidene)acetonitrile")
| SpectraBase Compound ID | AiPwmqUg2eb |
|---|---|
| InChI | InChI=1S/C13H8ClN3O3/c14-9-3-1-8(2-4-9)11-16-12(20-17-11)10(7-15)13-18-5-6-19-13/h1-4H,5-6H2 |
| InChIKey | RZHSOEXDEGHHRK-UHFFFAOYSA-N |
| Mol Weight | 289.68 g/mol |
| Molecular Formula | C13H8ClN3O3 |
| Exact Mass | 289.025419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cVWhrEeaQA |
|---|---|
| Name | 2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(1,3-dioxolan-2-ylidene)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.025418827 u |
| Formula | C13H8ClN3O3 |
| InChI | InChI=1S/C13H8ClN3O3/c14-9-3-1-8(2-4-9)11-16-12(20-17-11)10(7-15)13-18-5-6-19-13/h1-4H,5-6H2 |
| InChIKey | RZHSOEXDEGHHRK-UHFFFAOYSA-N |
| SMILES | C1(=NC(=NO1)C1=CC=C(C=C1)Cl)C(=C1OCCO1)C#N |