| SpectraBase Compound ID | Fl27qI6Zrjt |
|---|---|
| InChI | InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-10-11-7(6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11) |
| InChIKey | VZKOLHTYHOVCKT-UHFFFAOYSA-N |
| Mol Weight | 212.2 g/mol |
| Molecular Formula | C9H12N2O4 |
| Exact Mass | 212.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3POqFmmLS0x |
|---|---|
| Name | Pyrazole-3,4(or 4,5)-dicarboxylic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.079706870 u |
| Formula | C9H12N2O4 |
| InChI | InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-10-11-7(6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11) |
| InChIKey | VZKOLHTYHOVCKT-UHFFFAOYSA-N |
| Molecular Weight | 212.205 g/mol |
| SMILES | N1C(=C(C=N1)C(=O)OCC)C(OCC)=O |