| SpectraBase Compound ID | 2R3EUZiqJSS |
|---|---|
| InChI | InChI=1S/C14H14N2O4/c1-9-11(13(17)19-2)12(14(18)20-3)16(15-9)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | MCDLKSIKZNLKBM-UHFFFAOYSA-N |
| Mol Weight | 274.28 g/mol |
| Molecular Formula | C14H14N2O4 |
| Exact Mass | 274.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | In41x0sAKQJ |
|---|---|
| Name | Dimethyl 3-methyl-1-phenyl-1H-pyrazole-4,5-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.095356935 u |
| Formula | C14H14N2O4 |
| InChI | InChI=1S/C14H14N2O4/c1-9-11(13(17)19-2)12(14(18)20-3)16(15-9)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | MCDLKSIKZNLKBM-UHFFFAOYSA-N |
| SMILES | C=1(N(N=C(C1C(=O)OC)C)C1=CC=CC=C1)C(=O)OC |