| SpectraBase Compound ID | JN3GuumqN0c |
|---|---|
| InChI | InChI=1S/C11H9N3O4/c1-18-11(15)10-6-9(12-13-10)7-3-2-4-8(5-7)14(16)17/h2-6H,1H3,(H,12,13) |
| InChIKey | RFOQKPPKEWYELF-UHFFFAOYSA-N |
| Mol Weight | 247.21 g/mol |
| Molecular Formula | C11H9N3O4 |
| Exact Mass | 247.059306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJ5i6HV4595 |
|---|---|
| Name | Methyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.059305778 u |
| Formula | C11H9N3O4 |
| InChI | InChI=1S/C11H9N3O4/c1-18-11(15)10-6-9(12-13-10)7-3-2-4-8(5-7)14(16)17/h2-6H,1H3,(H,12,13) |
| InChIKey | RFOQKPPKEWYELF-UHFFFAOYSA-N |
| Molecular Weight | 247.210 g/mol |
| SMILES | C1=CC=C(C=C1C1=CC(C(OC)=O)=NN1)N(=O)=O |