| SpectraBase Compound ID | 2NsvpUMCoDx |
|---|---|
| InChI | InChI=1S/C16H14N4O3/c1-19(2)13-7-3-11(4-8-13)15-17-18-16(23-15)12-5-9-14(10-6-12)20(21)22/h3-10H,1-2H3 |
| InChIKey | WHUXLXFQBIFQDD-UHFFFAOYSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C16H14N4O3 |
| Exact Mass | 310.10659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TV7syQT9O8 |
|---|---|
| Name | 2-(4-Dimethylaminophenyl)-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 | 310.106590324 u |
| Formula | C16H14N4O3 |
| InChI | InChI=1S/C16H14N4O3/c1-19(2)13-7-3-11(4-8-13)15-17-18-16(23-15)12-5-9-14(10-6-12)20(21)22/h3-10H,1-2H3 |
| InChIKey | WHUXLXFQBIFQDD-UHFFFAOYSA-N |
| Molecular Weight | 310.313 g/mol |
| SMILES | C1(=NN=C(O1)C1=CC=C(N(=O)=O)C=C1)C1=CC=C(N(C)C)C=C1 |