![2-(1,3-Dioxolan-2-ylidene)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile](/api/spectrum/KbLFBmV91IA/structure.png?h=300&w=458 "2-(1,3-Dioxolan-2-ylidene)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile")
| SpectraBase Compound ID | CRxQH7ORWTs |
|---|---|
| InChI | InChI=1S/C14H11N3O4/c1-18-10-4-2-9(3-5-10)12-16-13(21-17-12)11(8-15)14-19-6-7-20-14/h2-5H,6-7H2,1H3 |
| InChIKey | PPWQGUOFOZVRID-UHFFFAOYSA-N |
| Mol Weight | 285.26 g/mol |
| Molecular Formula | C14H11N3O4 |
| Exact Mass | 285.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbLFBmV91IA |
|---|---|
| Name | 2-(1,3-Dioxolan-2-ylidene)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.074955842 u |
| Formula | C14H11N3O4 |
| InChI | InChI=1S/C14H11N3O4/c1-18-10-4-2-9(3-5-10)12-16-13(21-17-12)11(8-15)14-19-6-7-20-14/h2-5H,6-7H2,1H3 |
| InChIKey | PPWQGUOFOZVRID-UHFFFAOYSA-N |
| SMILES | C1(=NC(=NO1)C1=CC=C(C=C1)OC)C(=C1OCCO1)C#N |