| SpectraBase Compound ID | 9Q86BYi1khJ |
|---|---|
| InChI | InChI=1S/C14H8N4O5/c19-17(20)10-7-5-9(6-8-10)13-15-16-14(23-13)11-3-1-2-4-12(11)18(21)22/h1-8H |
| InChIKey | XJIHPHWRRLXMDI-UHFFFAOYSA-N |
| Mol Weight | 312.24 g/mol |
| Molecular Formula | C14H8N4O5 |
| Exact Mass | 312.049469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dIuw0puS8P |
|---|---|
| Name | 2,5-di(4,2'-Nitrophenyl)-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.049469369 u |
| Formula | C14H8N4O5 |
| InChI | InChI=1S/C14H8N4O5/c19-17(20)10-7-5-9(6-8-10)13-15-16-14(23-13)11-3-1-2-4-12(11)18(21)22/h1-8H |
| InChIKey | XJIHPHWRRLXMDI-UHFFFAOYSA-N |
| Molecular Weight | 312.241 g/mol |
| SMILES | C=1(OC(=NN1)C1=CC=C(C=C1)N(=O)=O)C1=C(C=CC=C1)N(=O)=O |