| SpectraBase Compound ID | IxrPjhvZ9FB |
|---|---|
| InChI | InChI=1S/C8H11N3O4/c1-5-8(11(14)15)6(2)10(9-5)4-3-7(12)13/h3-4H2,1-2H3,(H,12,13) |
| InChIKey | VGKCUVQITAZDAF-UHFFFAOYSA-N |
| Mol Weight | 213.19 g/mol |
| Molecular Formula | C8H11N3O4 |
| Exact Mass | 213.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ws41TpArNX |
|---|---|
| Name | 3-(3,5-Dimethyl-4-nitropyrazol-1-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.074955842 u |
| Formula | C8H11N3O4 |
| InChI | InChI=1S/C8H11N3O4/c1-5-8(11(14)15)6(2)10(9-5)4-3-7(12)13/h3-4H2,1-2H3,(H,12,13) |
| InChIKey | VGKCUVQITAZDAF-UHFFFAOYSA-N |
| Molecular Weight | 213.193 g/mol |
| SMILES | C1(=C(N(CCC(O)=O)N=C1C)C)N(=O)=O |