| SpectraBase Compound ID | 4Iruuv0Ru8l |
|---|---|
| InChI | InChI=1S/C20H22N2O2/c1-3-5-14-23-18-12-10-17(11-13-18)20-22-21-19(24-20)16-8-6-15(4-2)7-9-16/h6-13H,3-5,14H2,1-2H3 |
| InChIKey | PLBFWCILEIMEIL-UHFFFAOYSA-N |
| Mol Weight | 322.41 g/mol |
| Molecular Formula | C20H22N2O2 |
| Exact Mass | 322.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BEgtXqt3Leo |
|---|---|
| Name | 2-(4-Butoxyphenyl)-5-(4-ethylphenyl)-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.168127954 u |
| Formula | C20H22N2O2 |
| InChI | InChI=1S/C20H22N2O2/c1-3-5-14-23-18-12-10-17(11-13-18)20-22-21-19(24-20)16-8-6-15(4-2)7-9-16/h6-13H,3-5,14H2,1-2H3 |
| InChIKey | PLBFWCILEIMEIL-UHFFFAOYSA-N |
| Molecular Weight | 322.408 g/mol |
| SMILES | C=1(OC(=NN1)c1ccc(cc1)OCCCC)c1ccc(cc1)CC |