| SpectraBase Compound ID | HVm7SREkAr6 |
|---|---|
| InChI | InChI=1S/C16H13N3O5/c1-22-13-8-5-11(9-14(13)23-2)16-18-17-15(24-16)10-3-6-12(7-4-10)19(20)21/h3-9H,1-2H3 |
| InChIKey | IAGLAISCFQZSGY-UHFFFAOYSA-N |
| Mol Weight | 327.3 g/mol |
| Molecular Formula | C16H13N3O5 |
| Exact Mass | 327.085521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqUNsAgfXU3 |
|---|---|
| Name | 2-(3,4-Dimethoxyphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.085520526 u |
| Formula | C16H13N3O5 |
| InChI | InChI=1S/C16H13N3O5/c1-22-13-8-5-11(9-14(13)23-2)16-18-17-15(24-16)10-3-6-12(7-4-10)19(20)21/h3-9H,1-2H3 |
| InChIKey | IAGLAISCFQZSGY-UHFFFAOYSA-N |
| Molecular Weight | 327.296 g/mol |
| SMILES | C1(=CC=C(C2=NN=C(O2)C2=CC(=C(C=C2)OC)OC)C=C1)N(=O)=O |