| SpectraBase Compound ID | Bdebm0gaGGx |
|---|---|
| InChI | InChI=1S/C11H9N3O5/c15-10(16)6-5-9-12-11(13-19-9)7-1-3-8(4-2-7)14(17)18/h1-4H,5-6H2,(H,15,16) |
| InChIKey | QVBPNNMACQAWFA-UHFFFAOYSA-N |
| Mol Weight | 263.21 g/mol |
| Molecular Formula | C11H9N3O5 |
| Exact Mass | 263.05422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7HRQJ4SW9C |
|---|---|
| Name | 3-(p-Nitrophenyl)-1,2,4-oxadiazole-5-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.054220397 u |
| Formula | C11H9N3O5 |
| InChI | InChI=1S/C11H9N3O5/c15-10(16)6-5-9-12-11(13-19-9)7-1-3-8(4-2-7)14(17)18/h1-4H,5-6H2,(H,15,16) |
| InChIKey | QVBPNNMACQAWFA-UHFFFAOYSA-N |
| SMILES | OC(CCC=1ON=C(C2=CC=C(C=C2)N(=O)=O)N1)=O |