| SpectraBase Compound ID | IFGXLOQW20B |
|---|---|
| InChI | InChI=1S/C13H12N2O4/c1-18-12(16)10-9(8-6-4-3-5-7-8)11(15-14-10)13(17)19-2/h3-7H,1-2H3,(H,14,15) |
| InChIKey | VJOYCGRKDWRDBB-UHFFFAOYSA-N |
| Mol Weight | 260.25 g/mol |
| Molecular Formula | C13H12N2O4 |
| Exact Mass | 260.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyzBu7BipEI |
|---|---|
| Name | 1H-Pyrazole-3,5-dicarboxylic acid, 4-phenyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.079706870 u |
| Formula | C13H12N2O4 |
| InChI | InChI=1S/C13H12N2O4/c1-18-12(16)10-9(8-6-4-3-5-7-8)11(15-14-10)13(17)19-2/h3-7H,1-2H3,(H,14,15) |
| InChIKey | VJOYCGRKDWRDBB-UHFFFAOYSA-N |
| Molecular Weight | 260.249 g/mol |
| SMILES | C1(=C(C(C(=O)OC)=NN1)C=1C=CC=CC1)C(=O)OC |