| SpectraBase Compound ID | A4PyJrM5CDv |
|---|---|
| InChI | InChI=1S/C17H16N2O4/c1-20-13-6-4-5-11(9-13)16-18-19-17(23-16)12-7-8-14(21-2)15(10-12)22-3/h4-10H,1-3H3 |
| InChIKey | QQEUUPCDCVNOOG-UHFFFAOYSA-N |
| Mol Weight | 312.33 g/mol |
| Molecular Formula | C17H16N2O4 |
| Exact Mass | 312.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88dMwct6ssT |
|---|---|
| Name | 2-(3,4-Dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.111006999 u |
| Formula | C17H16N2O4 |
| InChI | InChI=1S/C17H16N2O4/c1-20-13-6-4-5-11(9-13)16-18-19-17(23-16)12-7-8-14(21-2)15(10-12)22-3/h4-10H,1-3H3 |
| InChIKey | QQEUUPCDCVNOOG-UHFFFAOYSA-N |
| Molecular Weight | 312.325 g/mol |
| SMILES | C1(=NN=C(O1)C1=CC(OC)=C(OC)C=C1)C1=CC=CC(=C1)OC |